N-cyclohexyl-2-(2-methylsulfanylethylamino)propanamide

C12H24N2OS — CID 60638538

IUPACN-cyclohexyl-2-(2-methylsulfanylethylamino)propanamide
SMILESCSCCNC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C12H24N2OS/c1-10(13-8-9-16-2)12(15)14-11-6-4-3-5-7-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyTYLRGIOKXKGJNX-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.78
Rot. Bonds6

About N-cyclohexyl-2-(2-methylsulfanylethylamino)propanamide

N-cyclohexyl-2-(2-methylsulfanylethylamino)propanamide (PubChem CID 60638538) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-methylsulfanylethylamino)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-methylsulfanylethylamino)propanamide
PubChem CID60638538
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-cyclohexyl-2-(2-methylsulfanylethylamino)propanamide
SMILESCSCCNC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C12H24N2OS/c1-10(13-8-9-16-2)12(15)14-11-6-4-3-5-7-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyTYLRGIOKXKGJNX-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-methylsulfanylethylamino)propanamide?
The IUPAC name of N-cyclohexyl-2-(2-methylsulfanylethylamino)propanamide (CID 60638538) is N-cyclohexyl-2-(2-methylsulfanylethylamino)propanamide.
What is the SMILES notation for N-cyclohexyl-2-(2-methylsulfanylethylamino)propanamide?
The canonical SMILES for N-cyclohexyl-2-(2-methylsulfanylethylamino)propanamide is CSCCNC(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2-methylsulfanylethylamino)propanamide?
The InChIKey is TYLRGIOKXKGJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-10(13-8-9-16-2)12(15)14-11-6-4-3-5-7-11/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-cyclohexyl-2-(2-methylsulfanylethylamino)propanamide?
N-cyclohexyl-2-(2-methylsulfanylethylamino)propanamide has a molecular weight of 244.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-methylsulfanylethylamino)propanamide is sourced from PubChem (CID 60638538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).