2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid

C15H27NO2S — CID 62721377

IUPAC2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid
SMILESCC1CCCC(SCCC(C)(NC2CC2)C(=O)O)C1
InChIInChI=1S/C15H27NO2S/c1-11-4-3-5-13(10-11)19-9-8-15(2,14(17)18)16-12-6-7-12/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyWQNIVBAJIJYGPN-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.28
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid

2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid (PubChem CID 62721377) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid
PubChem CID62721377
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid
SMILESCC1CCCC(SCCC(C)(NC2CC2)C(=O)O)C1
InChIInChI=1S/C15H27NO2S/c1-11-4-3-5-13(10-11)19-9-8-15(2,14(17)18)16-12-6-7-12/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyWQNIVBAJIJYGPN-UHFFFAOYSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoate
CID 62720491
6-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylhexanoic acid
CID 63115953
2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid
CID 62720486
2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexanoic acid
CID 63466029
2-(ethylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanoic acid
CID 55111510
ethyl 2-methyl-4-(3-methylcyclohexyl)sulfanyl-2-(propan-2-ylamino)butanoate
CID 62723180
4-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylbutanoic acid
CID 63120175
2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide
CID 62720840
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylpropanamide
CID 63921241
3-(3-methylcyclohexyl)sulfanylpropanamide
CID 62721555
2-(cyclopropylamino)-6-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylhexanoic acid
CID 104968645
2-(cyclobutylamino)-2,5-dimethylhexanoic acid
CID 115001848

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid (CID 62721377) is 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid is CC1CCCC(SCCC(C)(NC2CC2)C(=O)O)C1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid?
The InChIKey is WQNIVBAJIJYGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-11-4-3-5-13(10-11)19-9-8-15(2,14(17)18)16-12-6-7-12/h11-13,16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid?
2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid has a molecular weight of 285.45 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid is sourced from PubChem (CID 62721377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).