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

C11H16N6OS — CID 4819467

IUPACN-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C11H16N6OS/c1-17-10(14-15-16-17)19-7-9(18)13-11(8-12)5-3-2-4-6-11/h2-7H2,1H3,(H,13,18)
InChIKeyCYXMPTIYFQZQNL-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.64
Rot. Bonds4

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

N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 4819467) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID4819467
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC NameN-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C11H16N6OS/c1-17-10(14-15-16-17)19-7-9(18)13-11(8-12)5-3-2-4-6-11/h2-7H2,1H3,(H,13,18)
InChIKeyCYXMPTIYFQZQNL-UHFFFAOYSA-N
XLogP0.64
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-cyanocyclohexyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 27094340
N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 55539110
N-(1-cyanocyclopentyl)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 26643904
2-[[4-(2-aminoethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclopentyl)acetamide
CID 65294540
N-(1-cyanocyclopentyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 36987770
N-(1-cyanocyclopentyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylacetamide
CID 8007297
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)acetamide
CID 7170122
2-(1-methyltetrazol-5-yl)sulfanyl-N-(1-oxaspiro[4.5]decan-3-yl)acetamide
CID 45197507
N-(1-cyanocyclopentyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7420948
N-(1-cyanocyclohexyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 29349191
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(1-cyanocycloheptyl)acetamide
CID 55538278
N-(1-cyanocyclopentyl)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 47138291

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 4819467) is N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is CYXMPTIYFQZQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-17-10(14-15-16-17)19-7-9(18)13-11(8-12)5-3-2-4-6-11/h2-7H2,1H3,(H,13,18).
What are the key properties of N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(1-cyanocyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 280.36 g/mol, XLogP of 0.64, 4 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-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 4819467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).