Chemical ID: 5467227

CC(C)CCN(CC(=O)O)S(=O)(=O)c1cccs1
Chemical ID:
5467227
Name [?]:
2-(isopentyl-(2-thienylsulfonyl)amino)acetic acid
SMILES [?]:
CC(C)CCN(CC(=O)O)S(=O)(=O)c1cccs1
InChi [?]:
InChI=1/C11H17NO4S2/c1-9(2)5-6-12(8-10(13)14)18(15,16)11-4-3-7-17-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,16,15,4,5,17,7,2,8,14,6,9,10,12,13,18,11/E:(1,2)(13,14)(15,16)/CRV:18.6/rA:18cCCCCCNCCOOSOOCCCCS/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s6;d11;d11;s11;d14;s15;d16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H17NO4S2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.02417
Area:459.464
Solvation:-3.46242
Coulombic:-34.8502
Bond Count [?]
All:18
Single:13
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.389
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.41
LogP (Chemaxon):1.85

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Descriptor Annotations

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