N-cyclohexyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C14H24N4OS — CID 1451347

IUPACN-cyclohexyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)c1nnc(SCC(=O)NC2CCCCC2)n1C
InChIInChI=1S/C14H24N4OS/c1-10(2)13-16-17-14(18(13)3)20-9-12(19)15-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,19)
InChIKeyDNCLPBHWBQSRKY-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.48
Rot. Bonds5

About N-cyclohexyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-cyclohexyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1451347) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1451347
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-cyclohexyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)c1nnc(SCC(=O)NC2CCCCC2)n1C
InChIInChI=1S/C14H24N4OS/c1-10(2)13-16-17-14(18(13)3)20-9-12(19)15-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,19)
InChIKeyDNCLPBHWBQSRKY-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1451347) is N-cyclohexyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)c1nnc(SCC(=O)NC2CCCCC2)n1C.
What is the InChIKey of N-cyclohexyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is DNCLPBHWBQSRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-10(2)13-16-17-14(18(13)3)20-9-12(19)15-11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,19).
What are the key properties of N-cyclohexyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclohexyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 296.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1451347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).