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

C14H22N2O3S — CID 107569368

IUPAC(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-5-13(15)14(17)16-10(2)11-6-8-12(9-7-11)20(3,18)19/h6-10,13H,4-5,15H2,1-3H3,(H,16,17)/t10?,13-/m0/s1
InChIKeyKQZSKHCQWFKOSI-HQVZTVAUSA-N
MW298.41 g/mol
LogP1.39
Rot. Bonds6

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

(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide (PubChem CID 107569368) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
PubChem CID107569368
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-4-5-13(15)14(17)16-10(2)11-6-8-12(9-7-11)20(3,18)19/h6-10,13H,4-5,15H2,1-3H3,(H,16,17)/t10?,13-/m0/s1
InChIKeyKQZSKHCQWFKOSI-HQVZTVAUSA-N
XLogP1.39
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 103831127
3-amino-4-[1-(4-methylsulfonylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896729
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630
(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride
CID 119274664
(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 61252821
(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide
CID 103793979
(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 107570248
(2S)-2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 107568369
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 124682679
2-amino-2-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
CID 120666863

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide (CID 107569368) is (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide is CCC[C@H](N)C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide?
The InChIKey is KQZSKHCQWFKOSI-HQVZTVAUSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-5-13(15)14(17)16-10(2)11-6-8-12(9-7-11)20(3,18)19/h6-10,13H,4-5,15H2,1-3H3,(H,16,17)/t10?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide?
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide has a molecular weight of 298.41 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide is sourced from PubChem (CID 107569368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).