(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide

C15H24N2O3S — CID 61252821

IUPAC(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-10(2)14(16)15(18)17-11(3)12-6-8-13(9-7-12)21(4,19)20/h6-11,14H,5,16H2,1-4H3,(H,17,18)/t10?,11?,14-/m0/s1
InChIKeyUQFFJCOBBQPLPX-MGULZYLOSA-N
MW312.44 g/mol
LogP1.64
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide

(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide (PubChem CID 61252821) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
PubChem CID61252821
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-5-10(2)14(16)15(18)17-11(3)12-6-8-13(9-7-12)21(4,19)20/h6-11,14H,5,16H2,1-4H3,(H,17,18)/t10?,11?,14-/m0/s1
InChIKeyUQFFJCOBBQPLPX-MGULZYLOSA-N
XLogP1.64
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride
CID 119274664
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368
(2S,3S)-2-amino-3-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148897
2-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-methylpentanamide
CID 119801243
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
3-amino-4-[1-(4-methylsulfonylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896729
(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide
CID 61174084
(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61155475
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 103831127
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide (CID 61252821) is (2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide is CCC(C)[C@H](N)C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide?
The InChIKey is UQFFJCOBBQPLPX-MGULZYLOSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-10(2)14(16)15(18)17-11(3)12-6-8-13(9-7-12)21(4,19)20/h6-11,14H,5,16H2,1-4H3,(H,17,18)/t10?,11?,14-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide?
(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide has a molecular weight of 312.44 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide is sourced from PubChem (CID 61252821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).