Chemical ID: 4099614

C1CCN(CC1)c2nc(=O)c(ns2)N
Chemical ID:
4099614
Name [?]:
3-amino-6-(1-piperidyl)-1,2,5-thiadiazin-4-one
SMILES [?]:
C1CCN(CC1)c2nc(=O)c(ns2)N
InChi [?]:
InChI=1/C8H12N4OS/c9-6-7(13)10-8(14-11-6)12-4-2-1-3-5-12/h1-5H2,(H2,9,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,9,7,14,8,12,4,10,13/E:(2,3)(4,5)/rA:14nCCCNCCCNCOCNSN/rB:s1;s2;s3;s4;s1s5;s4;d7;s8;d9;s9;d11;s7s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12N4OS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.39018
Area:361.08
Solvation:-1.63681
Coulombic:-45.4868
Bond Count [?]
All:15
Single:12
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:212.273
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.17
LogP (Chemaxon):1.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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