N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide

C13H24N2O2S — CID 164775988

IUPACN-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide
SMILESCCC(=O)NC(CSC)C(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O2S/c1-3-12(16)15-11(9-18-2)13(17)14-10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRXJWEECGCDECDS-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.69
Rot. Bonds6

About N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide

N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide (PubChem CID 164775988) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide
PubChem CID164775988
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide
SMILESCCC(=O)NC(CSC)C(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O2S/c1-3-12(16)15-11(9-18-2)13(17)14-10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRXJWEECGCDECDS-UHFFFAOYSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide?
The IUPAC name of N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide (CID 164775988) is N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide.
What is the SMILES notation for N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide?
The canonical SMILES for N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide is CCC(=O)NC(CSC)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide?
The InChIKey is RXJWEECGCDECDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-3-12(16)15-11(9-18-2)13(17)14-10-7-5-4-6-8-10/h10-11H,3-9H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide?
N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide has a molecular weight of 272.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methylsulfanyl-2-(propanoylamino)propanamide is sourced from PubChem (CID 164775988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).