2-amino-4-methyl-N-(3-pyridin-2-ylphenyl)sulfinylpentanamide

C17H21N3O2S — CID 134416326

IUPAC2-amino-4-methyl-N-(3-pyridin-2-ylphenyl)sulfinylpentanamide
SMILESCC(C)CC(N)C(=O)NS(=O)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C17H21N3O2S/c1-12(2)10-15(18)17(21)20-23(22)14-7-5-6-13(11-14)16-8-3-4-9-19-16/h3-9,11-12,15H,10,18H2,1-2H3,(H,20,21)
InChIKeyWTDYLRRKVUJTMO-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.26
Rot. Bonds6

About 2-amino-4-methyl-N-(3-pyridin-2-ylphenyl)sulfinylpentanamide

2-amino-4-methyl-N-(3-pyridin-2-ylphenyl)sulfinylpentanamide (PubChem CID 134416326) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(3-pyridin-2-ylphenyl)sulfinylpentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(3-pyridin-2-ylphenyl)sulfinylpentanamide
PubChem CID134416326
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-amino-4-methyl-N-(3-pyridin-2-ylphenyl)sulfinylpentanamide
SMILESCC(C)CC(N)C(=O)NS(=O)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C17H21N3O2S/c1-12(2)10-15(18)17(21)20-23(22)14-7-5-6-13(11-14)16-8-3-4-9-19-16/h3-9,11-12,15H,10,18H2,1-2H3,(H,20,21)
InChIKeyWTDYLRRKVUJTMO-UHFFFAOYSA-N
XLogP2.26
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-[(R)-phenylsulfinyl]pentanamide;(2S)-2-amino-4-methyl-N-[(S)-phenylsulfinyl]pentanamide
CID 158890382
2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide
CID 146353618
2-amino-4-methyl-N-pyrimidin-2-ylsulfinylpentanamide
CID 134416337
(2S)-2-amino-4-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 119720429
N-[(2S)-2-amino-3-hydroxybutyl]-2-(3-pyridin-2-ylphenyl)acetamide
CID 70196813
2-(3-propan-2-yloxyphenyl)pyridine
CID 70320352
N-[(2S)-4-methyl-1-oxo-1-[[2-oxo-3-[[2-(3-pyridin-2-ylphenyl)acetyl]amino]propyl]amino]pentan-2-yl]thiophene-2-carboxamide
CID 59918102
(2S)-2-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 61179769
(2S)-2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 119694895
(2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride
CID 119874722
(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
CID 14310136
(2S)-2-amino-4-methyl-N-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 154668589

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(3-pyridin-2-ylphenyl)sulfinylpentanamide?
The IUPAC name of 2-amino-4-methyl-N-(3-pyridin-2-ylphenyl)sulfinylpentanamide (CID 134416326) is 2-amino-4-methyl-N-(3-pyridin-2-ylphenyl)sulfinylpentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(3-pyridin-2-ylphenyl)sulfinylpentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(3-pyridin-2-ylphenyl)sulfinylpentanamide is CC(C)CC(N)C(=O)NS(=O)c1cccc(-c2ccccn2)c1.
What is the InChIKey of 2-amino-4-methyl-N-(3-pyridin-2-ylphenyl)sulfinylpentanamide?
The InChIKey is WTDYLRRKVUJTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12(2)10-15(18)17(21)20-23(22)14-7-5-6-13(11-14)16-8-3-4-9-19-16/h3-9,11-12,15H,10,18H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-4-methyl-N-(3-pyridin-2-ylphenyl)sulfinylpentanamide?
2-amino-4-methyl-N-(3-pyridin-2-ylphenyl)sulfinylpentanamide has a molecular weight of 331.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(3-pyridin-2-ylphenyl)sulfinylpentanamide is sourced from PubChem (CID 134416326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).