N-(1-cyanocyclopentyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C16H21N5OS — CID 9026788

IUPACN-(1-cyanocyclopentyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESN#CC1(NC(=O)CSc2nnc(C3CC3)n2C2CC2)CCCC1
InChIInChI=1S/C16H21N5OS/c17-10-16(7-1-2-8-16)18-13(22)9-23-15-20-19-14(11-3-4-11)21(15)12-5-6-12/h11-12H,1-9H2,(H,18,22)
InChIKeyBYIRRKFJMUWFHQ-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.54
Rot. Bonds6

About N-(1-cyanocyclopentyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(1-cyanocyclopentyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 9026788) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID9026788
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN-(1-cyanocyclopentyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESN#CC1(NC(=O)CSc2nnc(C3CC3)n2C2CC2)CCCC1
InChIInChI=1S/C16H21N5OS/c17-10-16(7-1-2-8-16)18-13(22)9-23-15-20-19-14(11-3-4-11)21(15)12-5-6-12/h11-12H,1-9H2,(H,18,22)
InChIKeyBYIRRKFJMUWFHQ-UHFFFAOYSA-N
XLogP2.54
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyanocycloheptyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55538605
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CID 8724118
N-(1-cyanocyclopentyl)-2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42334018
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CID 42333964
N-(1-cyanocyclopentyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 47138291
N-cyclooctyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 27628812
N-(1-cyanocyclopentyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
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N-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 27094340
N-(1-cyanocyclohexyl)-2-[[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 30027943
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-3-ylacetamide
CID 8971160
methyl 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 17483257
N-(1-adamantylcarbamoyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9026001

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 9026788) is N-(1-cyanocyclopentyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is N#CC1(NC(=O)CSc2nnc(C3CC3)n2C2CC2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is BYIRRKFJMUWFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c17-10-16(7-1-2-8-16)18-13(22)9-23-15-20-19-14(11-3-4-11)21(15)12-5-6-12/h11-12H,1-9H2,(H,18,22).
What are the key properties of N-(1-cyanocyclopentyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(1-cyanocyclopentyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 331.45 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 9026788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).