2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide

C13H20N2O2S — CID 146353618

IUPAC2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide
SMILESCc1cccc(S(=O)NC(=O)C(N)CC(C)C)c1
InChIInChI=1S/C13H20N2O2S/c1-9(2)7-12(14)13(16)15-18(17)11-6-4-5-10(3)8-11/h4-6,8-9,12H,7,14H2,1-3H3,(H,15,16)
InChIKeyVSUZGQRTGVKCEX-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.51
Rot. Bonds5

About 2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide

2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide (PubChem CID 146353618) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide
PubChem CID146353618
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide
SMILESCc1cccc(S(=O)NC(=O)C(N)CC(C)C)c1
InChIInChI=1S/C13H20N2O2S/c1-9(2)7-12(14)13(16)15-18(17)11-6-4-5-10(3)8-11/h4-6,8-9,12H,7,14H2,1-3H3,(H,15,16)
InChIKeyVSUZGQRTGVKCEX-UHFFFAOYSA-N
XLogP1.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-pyridin-2-ylphenyl)sulfinylpentanamide
CID 134416326
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
2-amino-4-methyl-N-pyrimidin-2-ylsulfinylpentanamide
CID 134416337
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389
4-(3-methylphenyl)sulfinylbutan-2-amine
CID 64654610
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
(2S)-N-(3-acetamido-2-methylphenyl)-2-amino-4-methylpentanamide
CID 119704819
(2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide
CID 119811710
2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
CID 24690909
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119807149

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide?
The IUPAC name of 2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide (CID 146353618) is 2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide is Cc1cccc(S(=O)NC(=O)C(N)CC(C)C)c1.
What is the InChIKey of 2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide?
The InChIKey is VSUZGQRTGVKCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(2)7-12(14)13(16)15-18(17)11-6-4-5-10(3)8-11/h4-6,8-9,12H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide?
2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide has a molecular weight of 268.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(3-methylphenyl)sulfinylpentanamide is sourced from PubChem (CID 146353618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).