N-(1-cyanocyclohexyl)-N-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H23N5OS — CID 18134278

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCc1nc(SCC(=O)N(C)C2(C#N)CCCCC2)n[nH]1
InChIInChI=1S/C15H23N5OS/c1-3-7-12-17-14(19-18-12)22-10-13(21)20(2)15(11-16)8-5-4-6-9-15/h3-10H2,1-2H3,(H,17,18,19)
InChIKeyLEEOBTGEJFJVCX-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.53
Rot. Bonds6

About N-(1-cyanocyclohexyl)-N-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(1-cyanocyclohexyl)-N-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 18134278) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID18134278
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCc1nc(SCC(=O)N(C)C2(C#N)CCCCC2)n[nH]1
InChIInChI=1S/C15H23N5OS/c1-3-7-12-17-14(19-18-12)22-10-13(21)20(2)15(11-16)8-5-4-6-9-15/h3-10H2,1-2H3,(H,17,18,19)
InChIKeyLEEOBTGEJFJVCX-UHFFFAOYSA-N
XLogP2.53
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocyclohexyl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
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2-(3-aminopyrazin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methylacetamide
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2-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]sulfanylacetic acid
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N-(1-cyanocyclohexyl)-2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-methylacetamide
CID 51261752
N-(1-cyanocyclohexyl)-2-(2,4-dimethylphenyl)sulfanyl-N-methylacetamide
CID 7458761
N-(1-cyanocyclohexyl)-N-methyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)acetamide
CID 7877615
N-(1-cyanocyclohexyl)-N-methyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 18134278) is N-(1-cyanocyclohexyl)-N-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCc1nc(SCC(=O)N(C)C2(C#N)CCCCC2)n[nH]1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is LEEOBTGEJFJVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-3-7-12-17-14(19-18-12)22-10-13(21)20(2)15(11-16)8-5-4-6-9-15/h3-10H2,1-2H3,(H,17,18,19).
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(1-cyanocyclohexyl)-N-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 321.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 18134278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).