CID 8608188

C20H29N4OS+ — CID 8608188

IUPAC—
SMILESN#C[C@]12C3(CCCCCCCCCCC3)[C@@]1(C#N)C(N)=[NH+][C@@]21OCCS1
InChIInChI=1S/C20H28N4OS/c21-14-18-16(23)24-20(25-12-13-26-20)19(18,15-22)17(18)10-8-6-4-2-1-3-5-7-9-11-17/h1-13H2,(H2,23,24)/p+1/t18-,19+,20-/m1/s1
InChIKeyQXYNEQKTRPPELA-HSALFYBXSA-O
MW373.55 g/mol
LogP2.18
Rot. Bonds

About CID 8608188

CID 8608188 (PubChem CID 8608188) has the molecular formula C20H29N4OS+ and a molecular weight of 373.55 g/mol.

Molecular Properties

Compound NameCID 8608188
PubChem CID8608188
Molecular FormulaC20H29N4OS+
Molecular Weight373.55 g/mol
Exact Mass373.21
IUPAC Name—
SMILESN#C[C@]12C3(CCCCCCCCCCC3)[C@@]1(C#N)C(N)=[NH+][C@@]21OCCS1
InChIInChI=1S/C20H28N4OS/c21-14-18-16(23)24-20(25-12-13-26-20)19(18,15-22)17(18)10-8-6-4-2-1-3-5-7-9-11-17/h1-13H2,(H2,23,24)/p+1/t18-,19+,20-/m1/s1
InChIKeyQXYNEQKTRPPELA-HSALFYBXSA-O
XLogP2.18
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 8608165
CID 8608165
(1'S,2R,5'R,6'S)-2'-amino-6'-(2,5-dimethoxyphenyl)-6'-methylspiro[1,3-oxathiolane-2,4'-3-azoniabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 8607963
(1'S,2R,5'R,6'R)-2'-amino-6'-(4-bromophenyl)spiro[1,3-oxathiolane-2,4'-3-azoniabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 8607456
(1'S,2R,5'R,6'R)-2'-amino-6'-(4-fluorophenyl)spiro[1,3-oxathiolane-2,4'-3-azoniabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 8607413
CID 8609946
CID 8609946
(1'S,2R,5'R,6'R)-2'-amino-6'-(2,4-dichlorophenyl)spiro[1,3-oxathiolane-2,4'-3-azoniabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 8607473
(1'S,2R,5'R,6'R)-2'-amino-6'-ethyl-6'-methylspiro[1,3-oxathiolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 8607794
(1'S,2R,5'R,6'S)-2'-amino-6'-(2-chloro-4-nitrophenyl)spiro[1,3-oxathiolane-2,4'-3-azoniabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 8607507
(1S,5R)-2-amino-4,4-diethoxyspiro[3-azabicyclo[3.1.0]hex-2-ene-6,1'-cyclooctane]-1,5-dicarbonitrile
CID 8610558
CID 8609975
CID 8609975
(1'S,2R,5'R)-2'-amino-6',6'-dibutylspiro[1,3-oxathiolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 8607855
(1S,5R)-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cycloheptane]-1,5-dicarbonitrile
CID 8607229

Frequently Asked Questions

What is the IUPAC name of CID 8608188?
The IUPAC name of CID 8608188 (CID 8608188) is not available.
What is the SMILES notation for CID 8608188?
The canonical SMILES for CID 8608188 is N#C[C@]12C3(CCCCCCCCCCC3)[C@@]1(C#N)C(N)=[NH+][C@@]21OCCS1.
What is the InChIKey of CID 8608188?
The InChIKey is QXYNEQKTRPPELA-HSALFYBXSA-O. The full InChI is InChI=1S/C20H28N4OS/c21-14-18-16(23)24-20(25-12-13-26-20)19(18,15-22)17(18)10-8-6-4-2-1-3-5-7-9-11-17/h1-13H2,(H2,23,24)/p+1/t18-,19+,20-/m1/s1.
What are the key properties of CID 8608188?
CID 8608188 has a molecular weight of 373.55 g/mol, XLogP of 2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 8608188 is sourced from PubChem (CID 8608188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).