(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide

C15H24N2O3S — CID 124682679

IUPAC(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-6-14(16)15(18)17(3)11(2)12-7-9-13(10-8-12)21(4,19)20/h7-11,14H,5-6,16H2,1-4H3/t11-,14-/m0/s1
InChIKeyUMPXGIQWHODEGR-FZMZJTMJSA-N
MW312.44 g/mol
LogP1.74
Rot. Bonds6

About (2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide

(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide (PubChem CID 124682679) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide
PubChem CID124682679
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-6-14(16)15(18)17(3)11(2)12-7-9-13(10-8-12)21(4,19)20/h7-11,14H,5-6,16H2,1-4H3/t11-,14-/m0/s1
InChIKeyUMPXGIQWHODEGR-FZMZJTMJSA-N
XLogP1.74
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119271101
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 75870203
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368
2-amino-N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbutanamide
CID 60938421
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
2-amino-N-methyl-4-methylsulfonyl-N-(1-pyridin-4-ylethyl)butanamide
CID 60962966
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 47141179
2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride
CID 119334352
2-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpentanamide
CID 54870533
(2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide
CID 113357165
4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 119279454
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide (CID 124682679) is (2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide is CCC[C@H](N)C(=O)N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide?
The InChIKey is UMPXGIQWHODEGR-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-6-14(16)15(18)17(3)11(2)12-7-9-13(10-8-12)21(4,19)20/h7-11,14H,5-6,16H2,1-4H3/t11-,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide?
(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide has a molecular weight of 312.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide is sourced from PubChem (CID 124682679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).