N-methyl-4-methylsulfinylbutanamide

C6H13NO2S — CID 56994951

IUPACN-methyl-4-methylsulfinylbutanamide
SMILESCNC(=O)CCCS(C)=O
InChIInChI=1S/C6H13NO2S/c1-7-6(8)4-3-5-10(2)9/h3-5H2,1-2H3,(H,7,8)
InChIKeyFDHIWCYBXKHJNV-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.11
Rot. Bonds4

About N-methyl-4-methylsulfinylbutanamide

N-methyl-4-methylsulfinylbutanamide (PubChem CID 56994951) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-methyl-4-methylsulfinylbutanamide.

Molecular Properties

Compound NameN-methyl-4-methylsulfinylbutanamide
PubChem CID56994951
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-methyl-4-methylsulfinylbutanamide
SMILESCNC(=O)CCCS(C)=O
InChIInChI=1S/C6H13NO2S/c1-7-6(8)4-3-5-10(2)9/h3-5H2,1-2H3,(H,7,8)
InChIKeyFDHIWCYBXKHJNV-UHFFFAOYSA-N
XLogP-0.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfinylbutanamide?
The IUPAC name of N-methyl-4-methylsulfinylbutanamide (CID 56994951) is N-methyl-4-methylsulfinylbutanamide.
What is the SMILES notation for N-methyl-4-methylsulfinylbutanamide?
The canonical SMILES for N-methyl-4-methylsulfinylbutanamide is CNC(=O)CCCS(C)=O.
What is the InChIKey of N-methyl-4-methylsulfinylbutanamide?
The InChIKey is FDHIWCYBXKHJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-7-6(8)4-3-5-10(2)9/h3-5H2,1-2H3,(H,7,8).
What are the key properties of N-methyl-4-methylsulfinylbutanamide?
N-methyl-4-methylsulfinylbutanamide has a molecular weight of 163.24 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfinylbutanamide is sourced from PubChem (CID 56994951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).