N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C14H24N4OS — CID 4827772

IUPACN-(2,3-dimethylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCC(Sc1nncn1C)C(=O)NC1CCCC(C)C1C
InChIInChI=1S/C14H24N4OS/c1-9-6-5-7-12(10(9)2)16-13(19)11(3)20-14-17-15-8-18(14)4/h8-12H,5-7H2,1-4H3,(H,16,19)
InChIKeyYNHQEHBJEBSAPP-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.24
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 4827772) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID4827772
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCC(Sc1nncn1C)C(=O)NC1CCCC(C)C1C
InChIInChI=1S/C14H24N4OS/c1-9-6-5-7-12(10(9)2)16-13(19)11(3)20-14-17-15-8-18(14)4/h8-12H,5-7H2,1-4H3,(H,16,19)
InChIKeyYNHQEHBJEBSAPP-UHFFFAOYSA-N
XLogP2.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 4827772) is N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is CC(Sc1nncn1C)C(=O)NC1CCCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is YNHQEHBJEBSAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-9-6-5-7-12(10(9)2)16-13(19)11(3)20-14-17-15-8-18(14)4/h8-12H,5-7H2,1-4H3,(H,16,19).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 296.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 4827772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).