3-(methylamino)-1-oxopropane-1-sulfonamide

C4H10N2O3S — CID 86612434

IUPAC3-(methylamino)-1-oxopropane-1-sulfonamide
SMILESCNCCC(=O)S(N)(=O)=O
InChIInChI=1S/C4H10N2O3S/c1-6-3-2-4(7)10(5,8)9/h6H,2-3H2,1H3,(H2,5,8,9)
InChIKeyGKIAASOBLSBMDH-UHFFFAOYSA-N
MW166.20 g/mol
LogP-1.59
Rot. Bonds3

About 3-(methylamino)-1-oxopropane-1-sulfonamide

3-(methylamino)-1-oxopropane-1-sulfonamide (PubChem CID 86612434) has the molecular formula C4H10N2O3S and a molecular weight of 166.20 g/mol. Its IUPAC name is 3-(methylamino)-1-oxopropane-1-sulfonamide.

Molecular Properties

Compound Name3-(methylamino)-1-oxopropane-1-sulfonamide
PubChem CID86612434
Molecular FormulaC4H10N2O3S
Molecular Weight166.20 g/mol
Exact Mass166.04
IUPAC Name3-(methylamino)-1-oxopropane-1-sulfonamide
SMILESCNCCC(=O)S(N)(=O)=O
InChIInChI=1S/C4H10N2O3S/c1-6-3-2-4(7)10(5,8)9/h6H,2-3H2,1H3,(H2,5,8,9)
InChIKeyGKIAASOBLSBMDH-UHFFFAOYSA-N
XLogP-1.59
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-oxopropane-1-sulfonamide?
The IUPAC name of 3-(methylamino)-1-oxopropane-1-sulfonamide (CID 86612434) is 3-(methylamino)-1-oxopropane-1-sulfonamide.
What is the SMILES notation for 3-(methylamino)-1-oxopropane-1-sulfonamide?
The canonical SMILES for 3-(methylamino)-1-oxopropane-1-sulfonamide is CNCCC(=O)S(N)(=O)=O.
What is the InChIKey of 3-(methylamino)-1-oxopropane-1-sulfonamide?
The InChIKey is GKIAASOBLSBMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3S/c1-6-3-2-4(7)10(5,8)9/h6H,2-3H2,1H3,(H2,5,8,9).
What are the key properties of 3-(methylamino)-1-oxopropane-1-sulfonamide?
3-(methylamino)-1-oxopropane-1-sulfonamide has a molecular weight of 166.20 g/mol, XLogP of -1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-oxopropane-1-sulfonamide is sourced from PubChem (CID 86612434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).