N-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide

C15H22N6OS — CID 27094340

IUPACN-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
SMILESN#CC1(NC(=O)CSc2nnnn2C2CCCC2)CCCCC1
InChIInChI=1S/C15H22N6OS/c16-11-15(8-4-1-5-9-15)17-13(22)10-23-14-18-19-20-21(14)12-6-2-3-7-12/h12H,1-10H2,(H,17,22)
InChIKeyRBYKFBXFVMMLDQ-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.22
Rot. Bonds5

About N-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide

N-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide (PubChem CID 27094340) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
PubChem CID27094340
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC NameN-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
SMILESN#CC1(NC(=O)CSc2nnnn2C2CCCC2)CCCCC1
InChIInChI=1S/C15H22N6OS/c16-11-15(8-4-1-5-9-15)17-13(22)10-23-14-18-19-20-21(14)12-6-2-3-7-12/h12H,1-10H2,(H,17,22)
InChIKeyRBYKFBXFVMMLDQ-UHFFFAOYSA-N
XLogP2.22
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4819467
N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 55539110
N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 79194698
N-(1-cyanocyclopentyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 47138291
N-(1-cyanocycloheptyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55538605
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959
N-(1-cyanocyclopentyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9026788
1-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide
CID 55982309
N-(1-cyanocyclohexyl)-2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42333964
N-(1-cyanocyclopentyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 36987770
N-(1-cyanocyclopentyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7417122

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide (CID 27094340) is N-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide is N#CC1(NC(=O)CSc2nnnn2C2CCCC2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is RBYKFBXFVMMLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c16-11-15(8-4-1-5-9-15)17-13(22)10-23-14-18-19-20-21(14)12-6-2-3-7-12/h12H,1-10H2,(H,17,22).
What are the key properties of N-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide?
N-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 334.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 27094340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).