3-methyl-N-[(2S)-2-methylsulfanylpropyl]butanamide

C9H19NOS — CID 134387123

IUPAC3-methyl-N-[(2S)-2-methylsulfanylpropyl]butanamide
SMILESCS[C@@H](C)CNC(=O)CC(C)C
InChIInChI=1S/C9H19NOS/c1-7(2)5-9(11)10-6-8(3)12-4/h7-8H,5-6H2,1-4H3,(H,10,11)/t8-/m0/s1
InChIKeyFNHDQTUDCIBNMY-QMMMGPOBSA-N
MW189.32 g/mol
LogP1.90
Rot. Bonds5

About 3-methyl-N-[(2S)-2-methylsulfanylpropyl]butanamide

3-methyl-N-[(2S)-2-methylsulfanylpropyl]butanamide (PubChem CID 134387123) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-2-methylsulfanylpropyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(2S)-2-methylsulfanylpropyl]butanamide
PubChem CID134387123
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-methyl-N-[(2S)-2-methylsulfanylpropyl]butanamide
SMILESCS[C@@H](C)CNC(=O)CC(C)C
InChIInChI=1S/C9H19NOS/c1-7(2)5-9(11)10-6-8(3)12-4/h7-8H,5-6H2,1-4H3,(H,10,11)/t8-/m0/s1
InChIKeyFNHDQTUDCIBNMY-QMMMGPOBSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(methylthio)ethyl]butanamide
CID 2245988
3-methyl-N-(2-methylpropyl)butanamide
CID 233652
3,3'-thiobis[N-(3-methylbutyl)propanamide]
CID 2932047
N-butyl-2-methyl-3-sulfanylpropanamide
CID 72947095
Butanamide, 3-methyl-N-propyl
CID 528603
(2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide
CID 72947096
N-[3-(2-methylpropylsulfanyl)propyl]cyclobutanecarboxamide
CID 75390121
[2-(Butylamino)-2-oxoethyl]-dimethylsulfanium bromide
CID 118713944
N-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide
CID 2805079
N-isovaleroylisoamylamine
CID 3569815
n-Butyl-3-methylbutanamide
CID 233653
3-ethylsulfanyl-3-methyl-N-(1-sulfanylethyl)butanamide
CID 129225951

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S)-2-methylsulfanylpropyl]butanamide?
The IUPAC name of 3-methyl-N-[(2S)-2-methylsulfanylpropyl]butanamide (CID 134387123) is 3-methyl-N-[(2S)-2-methylsulfanylpropyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(2S)-2-methylsulfanylpropyl]butanamide?
The canonical SMILES for 3-methyl-N-[(2S)-2-methylsulfanylpropyl]butanamide is CS[C@@H](C)CNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-[(2S)-2-methylsulfanylpropyl]butanamide?
The InChIKey is FNHDQTUDCIBNMY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NOS/c1-7(2)5-9(11)10-6-8(3)12-4/h7-8H,5-6H2,1-4H3,(H,10,11)/t8-/m0/s1.
What are the key properties of 3-methyl-N-[(2S)-2-methylsulfanylpropyl]butanamide?
3-methyl-N-[(2S)-2-methylsulfanylpropyl]butanamide has a molecular weight of 189.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S)-2-methylsulfanylpropyl]butanamide is sourced from PubChem (CID 134387123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).