N-(4-methylsulfanyl-1-oxobutan-2-yl)formamide

C6H11NO2S — CID 78202361

IUPACN-(4-methylsulfanyl-1-oxobutan-2-yl)formamide
SMILESCSCCC(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)
InChIKeySASUHVXKFIKDBX-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.05
Rot. Bonds6

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

N-(4-methylsulfanyl-1-oxobutan-2-yl)formamide (PubChem CID 78202361) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is N-(4-methylsulfanyl-1-oxobutan-2-yl)formamide.

Molecular Properties

Compound NameN-(4-methylsulfanyl-1-oxobutan-2-yl)formamide
PubChem CID78202361
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC NameN-(4-methylsulfanyl-1-oxobutan-2-yl)formamide
SMILESCSCCC(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)
InChIKeySASUHVXKFIKDBX-UHFFFAOYSA-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

(2R)-2-amino-4-methylsulfanyl-N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]butanamide
CID 89085990
(2S)-2-amino-3-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]butanamide
CID 54091768
N-(4-methylsulfanyl-1-oxobutan-2-yl)-1-phenylmethanesulfonamide
CID 173323935
N-[(2S)-1,4-dioxobutan-2-yl]formamide
CID 173345036
N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 105161288
(2S)-2-[[(2R)-2-formamido-4-methylsulfanylbutanoyl]amino]propanoic acid
CID 6571932
[[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]amino] (2S)-2-amino-4-methylsulfanylbutanoate;propane;yttrium
CID 58682524
(2R)-2-acetamido-4-methyl-N-[(2S)-4-methyl-1-[[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 92510313
(2R)-2-(4-butoxyanilino)-4-methylsulfanylbutanal
CID 59830600
(4S)-4-acetamido-5-[[(2S)-4-carboxy-1-[[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 91597778
3-aminopropanoic acid;2-formamido-4-methylsulfanylbutanoic acid
CID 174949821
N-(1-oxo-4-phenylbutan-2-yl)formamide
CID 72648475

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanyl-1-oxobutan-2-yl)formamide?
The IUPAC name of N-(4-methylsulfanyl-1-oxobutan-2-yl)formamide (CID 78202361) is N-(4-methylsulfanyl-1-oxobutan-2-yl)formamide.
What is the SMILES notation for N-(4-methylsulfanyl-1-oxobutan-2-yl)formamide?
The canonical SMILES for N-(4-methylsulfanyl-1-oxobutan-2-yl)formamide is CSCCC(C=O)NC=O.
What is the InChIKey of N-(4-methylsulfanyl-1-oxobutan-2-yl)formamide?
The InChIKey is SASUHVXKFIKDBX-UHFFFAOYSA-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).
What are the key properties of N-(4-methylsulfanyl-1-oxobutan-2-yl)formamide?
N-(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-(4-methylsulfanyl-1-oxobutan-2-yl)formamide is sourced from PubChem (CID 78202361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).