4-amino-N-methylsulfonylbutanamide

C5H12N2O3S — CID 59124323

IUPAC4-amino-N-methylsulfonylbutanamide
SMILESCS(=O)(=O)NC(=O)CCCN
InChIInChI=1S/C5H12N2O3S/c1-11(9,10)7-5(8)3-2-4-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyAROFULGABHPXAG-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.20
Rot. Bonds4

About 4-amino-N-methylsulfonylbutanamide

4-amino-N-methylsulfonylbutanamide (PubChem CID 59124323) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-amino-N-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-amino-N-methylsulfonylbutanamide
PubChem CID59124323
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name4-amino-N-methylsulfonylbutanamide
SMILESCS(=O)(=O)NC(=O)CCCN
InChIInChI=1S/C5H12N2O3S/c1-11(9,10)7-5(8)3-2-4-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyAROFULGABHPXAG-UHFFFAOYSA-N
XLogP-1.20
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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 ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methylsulfonylbutanamide?
The IUPAC name of 4-amino-N-methylsulfonylbutanamide (CID 59124323) is 4-amino-N-methylsulfonylbutanamide.
What is the SMILES notation for 4-amino-N-methylsulfonylbutanamide?
The canonical SMILES for 4-amino-N-methylsulfonylbutanamide is CS(=O)(=O)NC(=O)CCCN.
What is the InChIKey of 4-amino-N-methylsulfonylbutanamide?
The InChIKey is AROFULGABHPXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-11(9,10)7-5(8)3-2-4-6/h2-4,6H2,1H3,(H,7,8).
What are the key properties of 4-amino-N-methylsulfonylbutanamide?
4-amino-N-methylsulfonylbutanamide has a molecular weight of 180.23 g/mol, XLogP of -1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methylsulfonylbutanamide is sourced from PubChem (CID 59124323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).