N-cycloheptyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C14H24N4OS — CID 4819258

IUPACN-cycloheptyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)n1cnnc1SCC(=O)NC1CCCCCC1
InChIInChI=1S/C14H24N4OS/c1-11(2)18-10-15-17-14(18)20-9-13(19)16-12-7-5-3-4-6-8-12/h10-12H,3-9H2,1-2H3,(H,16,19)
InChIKeyCPAKBVMTZODKNJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.79
Rot. Bonds5

About N-cycloheptyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-cycloheptyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 4819258) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-cycloheptyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID4819258
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-cycloheptyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)n1cnnc1SCC(=O)NC1CCCCCC1
InChIInChI=1S/C14H24N4OS/c1-11(2)18-10-15-17-14(18)20-9-13(19)16-12-7-5-3-4-6-8-12/h10-12H,3-9H2,1-2H3,(H,16,19)
InChIKeyCPAKBVMTZODKNJ-UHFFFAOYSA-N
XLogP2.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2352744
N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2374457
N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6464817
N-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6469650
N-(4-methylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16329958
N-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 855555
N-cycloheptyl-2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6467666
N-cycloheptyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6470235
N-(cyclopentylcarbamoyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2515057
2-(4-Methyl-4H-(1,2,4)triazol-3-ylsulfanyl)-N-tetradecyl-acetamide
CID 2802553
1-(2,6-Dimethylpiperidin-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 5227584
2-((5-Amino-4-methyl-4h-1,2,4-triazol-3-yl)thio)-N-(pentan-3-yl)acetamide
CID 40043535

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cycloheptyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 4819258) is N-cycloheptyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)n1cnnc1SCC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is CPAKBVMTZODKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-11(2)18-10-15-17-14(18)20-9-13(19)16-12-7-5-3-4-6-8-12/h10-12H,3-9H2,1-2H3,(H,16,19).
What are the key properties of N-cycloheptyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cycloheptyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 296.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 4819258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).