4-(methanesulfonamido)butanamide

C5H12N2O3S — CID 22246741

IUPAC4-(methanesulfonamido)butanamide
SMILESCS(=O)(=O)NCCCC(N)=O
InChIInChI=1S/C5H12N2O3S/c1-11(9,10)7-4-2-3-5(6)8/h7H,2-4H2,1H3,(H2,6,8)
InChIKeyDIEPQNDMLNURIM-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.20
Rot. Bonds5

About 4-(methanesulfonamido)butanamide

4-(methanesulfonamido)butanamide (PubChem CID 22246741) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-(methanesulfonamido)butanamide.

Molecular Properties

Compound Name4-(methanesulfonamido)butanamide
PubChem CID22246741
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name4-(methanesulfonamido)butanamide
SMILESCS(=O)(=O)NCCCC(N)=O
InChIInChI=1S/C5H12N2O3S/c1-11(9,10)7-4-2-3-5(6)8/h7H,2-4H2,1H3,(H2,6,8)
InChIKeyDIEPQNDMLNURIM-UHFFFAOYSA-N
XLogP-1.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)butanamide?
The IUPAC name of 4-(methanesulfonamido)butanamide (CID 22246741) is 4-(methanesulfonamido)butanamide.
What is the SMILES notation for 4-(methanesulfonamido)butanamide?
The canonical SMILES for 4-(methanesulfonamido)butanamide is CS(=O)(=O)NCCCC(N)=O.
What is the InChIKey of 4-(methanesulfonamido)butanamide?
The InChIKey is DIEPQNDMLNURIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-11(9,10)7-4-2-3-5(6)8/h7H,2-4H2,1H3,(H2,6,8).
What are the key properties of 4-(methanesulfonamido)butanamide?
4-(methanesulfonamido)butanamide has a molecular weight of 180.23 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)butanamide is sourced from PubChem (CID 22246741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).