(3S)-N-methyl-3-methylsulfanylbutanamide

C6H13NOS — CID 58528328

IUPAC(3S)-N-methyl-3-methylsulfanylbutanamide
SMILESCNC(=O)C[C@H](C)SC
InChIInChI=1S/C6H13NOS/c1-5(9-3)4-6(8)7-2/h5H,4H2,1-3H3,(H,7,8)/t5-/m0/s1
InChIKeyNUFMUDKUTILHFC-YFKPBYRVSA-N
MW147.24 g/mol
LogP0.87
Rot. Bonds3

About (3S)-N-methyl-3-methylsulfanylbutanamide

(3S)-N-methyl-3-methylsulfanylbutanamide (PubChem CID 58528328) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is (3S)-N-methyl-3-methylsulfanylbutanamide.

Molecular Properties

Compound Name(3S)-N-methyl-3-methylsulfanylbutanamide
PubChem CID58528328
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name(3S)-N-methyl-3-methylsulfanylbutanamide
SMILESCNC(=O)C[C@H](C)SC
InChIInChI=1S/C6H13NOS/c1-5(9-3)4-6(8)7-2/h5H,4H2,1-3H3,(H,7,8)/t5-/m0/s1
InChIKeyNUFMUDKUTILHFC-YFKPBYRVSA-N
XLogP0.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylsulfanylbutanoyl chloride
CID 13041005
(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451
(3R)-3-acetamido-N-methylbutanamide
CID 87931486
ethyl (3S)-3-methylsulfanylbutanoate
CID 76961471
3-[3-(methylamino)-3-oxopropyl]sulfanylbutanoic acid
CID 66139179
(3S)-3-acetamido-N-[(2S)-4-[[(2S)-4-[[(2S)-4-[[(2S)-4-[[(2S)-4-(methylamino)-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]amino]-4-oxobutan-2-yl]butanamide
CID 101104049
ethane;3-hydroxy-N,5-dimethylhexanamide;vanadium
CID 177155626
2-fluorosulfanyl-4-(methylamino)-4-oxobutanoic acid;molecular fluorine
CID 91209824
N-methyl-4-oxo-3-sulfanylpentanamide
CID 130374131
N-methyl-2-[1-[(3R)-3-methylsulfanylbutyl]piperidin-4-yl]acetamide
CID 95230250
N-methyl-2-methylsulfanylpropanamide
CID 55208447
3-[(1-hydroxy-4-methylsulfanylbutan-2-yl)amino]-N-methylbutanamide
CID 115894341

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-methylsulfanylbutanamide?
The IUPAC name of (3S)-N-methyl-3-methylsulfanylbutanamide (CID 58528328) is (3S)-N-methyl-3-methylsulfanylbutanamide.
What is the SMILES notation for (3S)-N-methyl-3-methylsulfanylbutanamide?
The canonical SMILES for (3S)-N-methyl-3-methylsulfanylbutanamide is CNC(=O)C[C@H](C)SC.
What is the InChIKey of (3S)-N-methyl-3-methylsulfanylbutanamide?
The InChIKey is NUFMUDKUTILHFC-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NOS/c1-5(9-3)4-6(8)7-2/h5H,4H2,1-3H3,(H,7,8)/t5-/m0/s1.
What are the key properties of (3S)-N-methyl-3-methylsulfanylbutanamide?
(3S)-N-methyl-3-methylsulfanylbutanamide has a molecular weight of 147.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-3-methylsulfanylbutanamide is sourced from PubChem (CID 58528328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).