N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]formamide

C6H11NO2S — CID 657008

IUPACN-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]formamide
SMILESCSCC[C@@H](C=O)NC=O
InChIInChI=1S/C6H11NO2S/c1-10-3-2-6(4-8)7-5-9/h4-6H,2-3H2,1H3,(H,7,9)/t6-/m0/s1
InChIKeySASUHVXKFIKDBX-LURJTMIESA-N
MW161.23 g/mol
LogP0.05
Rot. Bonds6

About N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]formamide

N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]formamide (PubChem CID 657008) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]formamide
PubChem CID657008
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]formamide
SMILESCSCC[C@@H](C=O)NC=O
InChIInChI=1S/C6H11NO2S/c1-10-3-2-6(4-8)7-5-9/h4-6H,2-3H2,1H3,(H,7,9)/t6-/m0/s1
InChIKeySASUHVXKFIKDBX-LURJTMIESA-N
XLogP0.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-formyl-L-methioninate
CID 5288223
N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]acetamide
CID 22868722
(2S)-2-formamido-4-methylsulfanylbutanamide
CID 56844223
(2S)-2-amino-4-methylsulfanyl-N-[(2S)-1-oxopropan-2-yl]butanamide
CID 54377775
Nalpha-formyl-DL-methionine amide
CID 18329562
S-methyl (2S)-2-formamidopropanethioate
CID 139253286
S-methyl (2S)-2-formamido-4-methylsulfanylbutanethioate
CID 139253287
S-methyl (2S)-2-formamido-3-methylbutanethioate
CID 139253293
(2S)-2-formamido-4-methylsulfanylbutanoyl fluoride
CID 175534597
(2R)-2-(methylamino)-3-methylsulfanylpropanal
CID 657113
2-amino-4-methylsulfanyl-N-(1-oxopropan-2-yl)butanamide
CID 17943995
2-(Methylamino)-4-methylsulfanylbutanal
CID 18340137

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]formamide?
The IUPAC name of N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]formamide (CID 657008) is N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]formamide.
What is the SMILES notation for N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]formamide?
The canonical SMILES for N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]formamide is CSCC[C@@H](C=O)NC=O.
What is the InChIKey of N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]formamide?
The InChIKey is SASUHVXKFIKDBX-LURJTMIESA-N. The full InChI is InChI=1S/C6H11NO2S/c1-10-3-2-6(4-8)7-5-9/h4-6H,2-3H2,1H3,(H,7,9)/t6-/m0/s1.
What are the key properties of N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]formamide?
N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]formamide has a molecular weight of 161.23 g/mol, XLogP of 0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]formamide is sourced from PubChem (CID 657008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).