2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide

C15H30N2O2S — CID 57141560

IUPAC2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide
SMILESCC(C)C1(C)CCC[C@H](NC(=O)C(N)CCS(C)=O)C1
InChIInChI=1S/C15H30N2O2S/c1-11(2)15(3)8-5-6-12(10-15)17-14(18)13(16)7-9-20(4)19/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t12-,13?,15?,20?/m0/s1
InChIKeyLWDFUFZLLIJFOR-YUHDKLLPSA-N
MW302.48 g/mol
LogP1.80
Rot. Bonds6

About 2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide

2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide (PubChem CID 57141560) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide
PubChem CID57141560
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide
SMILESCC(C)C1(C)CCC[C@H](NC(=O)C(N)CCS(C)=O)C1
InChIInChI=1S/C15H30N2O2S/c1-11(2)15(3)8-5-6-12(10-15)17-14(18)13(16)7-9-20(4)19/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t12-,13?,15?,20?/m0/s1
InChIKeyLWDFUFZLLIJFOR-YUHDKLLPSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide?
The IUPAC name of 2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide (CID 57141560) is 2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide.
What is the SMILES notation for 2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide?
The canonical SMILES for 2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide is CC(C)C1(C)CCC[C@H](NC(=O)C(N)CCS(C)=O)C1.
What is the InChIKey of 2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide?
The InChIKey is LWDFUFZLLIJFOR-YUHDKLLPSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-11(2)15(3)8-5-6-12(10-15)17-14(18)13(16)7-9-20(4)19/h11-13H,5-10,16H2,1-4H3,(H,17,18)/t12-,13?,15?,20?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide?
2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide has a molecular weight of 302.48 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide is sourced from PubChem (CID 57141560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).