(2S)-N-acetyl-2-amino-4-methylsulfanylbutanamide

C7H14N2O2S — CID 22212646

IUPAC(2S)-N-acetyl-2-amino-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC(C)=O
InChIInChI=1S/C7H14N2O2S/c1-5(10)9-7(11)6(8)3-4-12-2/h6H,3-4,8H2,1-2H3,(H,9,10,11)/t6-/m0/s1
InChIKeyOIRDKWJJMSJIEY-LURJTMIESA-N
MW190.27 g/mol
LogP-0.27
Rot. Bonds4

About (2S)-N-acetyl-2-amino-4-methylsulfanylbutanamide

(2S)-N-acetyl-2-amino-4-methylsulfanylbutanamide (PubChem CID 22212646) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is (2S)-N-acetyl-2-amino-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-N-acetyl-2-amino-4-methylsulfanylbutanamide
PubChem CID22212646
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name(2S)-N-acetyl-2-amino-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NC(C)=O
InChIInChI=1S/C7H14N2O2S/c1-5(10)9-7(11)6(8)3-4-12-2/h6H,3-4,8H2,1-2H3,(H,9,10,11)/t6-/m0/s1
InChIKeyOIRDKWJJMSJIEY-LURJTMIESA-N
XLogP-0.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Acetyl-DL-methioninamide
CID 536763
(S)-2-Acetamido-4-(methylthio)butanamide
CID 7004900
(2R)-N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145980045
2-acetamido-N-ethyl-3-(methylsulfanyl)propanamide
CID 13048727
2-(Methylamino)-4-(methylsulfanyl)butanamide
CID 23563340
(2S)-2-formamido-4-methylsulfanylbutanamide
CID 56844223
(3S)-3-(2-methylsulfanylethyl)piperazine-2,6-dione
CID 177371444
(3R)-3-(2-methylsulfanylethyl)piperazine-2,6-dione
CID 177371445
Cyclo-methionylglycine
CID 194124
2-amino-N-methyl-4-(methylsulfanyl)butanamide
CID 10034922
2-acetamido-N,N-dimethyl-4-(methylsulfanyl)butanamide
CID 5245532
2-amino-N-methyl-4-(methylsulfanyl)butanamide hydrochloride
CID 20545820

Frequently Asked Questions

What is the IUPAC name of (2S)-N-acetyl-2-amino-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-N-acetyl-2-amino-4-methylsulfanylbutanamide (CID 22212646) is (2S)-N-acetyl-2-amino-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-N-acetyl-2-amino-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-N-acetyl-2-amino-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NC(C)=O.
What is the InChIKey of (2S)-N-acetyl-2-amino-4-methylsulfanylbutanamide?
The InChIKey is OIRDKWJJMSJIEY-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-5(10)9-7(11)6(8)3-4-12-2/h6H,3-4,8H2,1-2H3,(H,9,10,11)/t6-/m0/s1.
What are the key properties of (2S)-N-acetyl-2-amino-4-methylsulfanylbutanamide?
(2S)-N-acetyl-2-amino-4-methylsulfanylbutanamide has a molecular weight of 190.27 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-acetyl-2-amino-4-methylsulfanylbutanamide is sourced from PubChem (CID 22212646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).