(2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide

C9H20N2O2S — CID 103950937

IUPAC(2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(C)S(C)=O
InChIInChI=1S/C9H20N2O2S/c1-6(2)8(10)9(12)11-5-7(3)14(4)13/h6-8H,5,10H2,1-4H3,(H,11,12)/t7?,8-,14?/m0/s1
InChIKeyIQSMDHYKXBWLDR-PSVZYIBISA-N
MW220.34 g/mol
LogP-0.15
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide

(2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide (PubChem CID 103950937) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide
PubChem CID103950937
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name(2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(C)S(C)=O
InChIInChI=1S/C9H20N2O2S/c1-6(2)8(10)9(12)11-5-7(3)14(4)13/h6-8H,5,10H2,1-4H3,(H,11,12)/t7?,8-,14?/m0/s1
InChIKeyIQSMDHYKXBWLDR-PSVZYIBISA-N
XLogP-0.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide
CID 104865583
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 65036026
2-cyano-N-(2-methylsulfinylpropyl)propanamide
CID 115764505
2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
CID 79011963
(2S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropanoic acid
CID 107835890
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide
CID 65440271
(2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 79013022
2-amino-N-(4-hydroxy-2-methylbutyl)-3-methylbutanamide
CID 66090902
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 54899691
(2S)-2-amino-N-(2-ethylsulfinylethyl)-3-methylbutanamide
CID 103796523

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide (CID 103950937) is (2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide is CC(C)[C@H](N)C(=O)NCC(C)S(C)=O.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide?
The InChIKey is IQSMDHYKXBWLDR-PSVZYIBISA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-6(2)8(10)9(12)11-5-7(3)14(4)13/h6-8H,5,10H2,1-4H3,(H,11,12)/t7?,8-,14?/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide?
(2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide has a molecular weight of 220.34 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide is sourced from PubChem (CID 103950937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).