3-hydroxy-N-methylpropane-1-sulfonamide

C4H11NO3S — CID 18988131

IUPAC3-hydroxy-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCO
InChIInChI=1S/C4H11NO3S/c1-5-9(7,8)4-2-3-6/h5-6H,2-4H2,1H3
InChIKeyGOIIZEUQDVMVCC-UHFFFAOYSA-N
MW153.20 g/mol
LogP-1.08
Rot. Bonds4

About 3-hydroxy-N-methylpropane-1-sulfonamide

3-hydroxy-N-methylpropane-1-sulfonamide (PubChem CID 18988131) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is 3-hydroxy-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-methylpropane-1-sulfonamide
PubChem CID18988131
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Name3-hydroxy-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCO
InChIInChI=1S/C4H11NO3S/c1-5-9(7,8)4-2-3-6/h5-6H,2-4H2,1H3
InChIKeyGOIIZEUQDVMVCC-UHFFFAOYSA-N
XLogP-1.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-hydroxy-N-methylpropane-1-sulfonamide (CID 18988131) is 3-hydroxy-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-hydroxy-N-methylpropane-1-sulfonamide is CNS(=O)(=O)CCCO.
What is the InChIKey of 3-hydroxy-N-methylpropane-1-sulfonamide?
The InChIKey is GOIIZEUQDVMVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-5-9(7,8)4-2-3-6/h5-6H,2-4H2,1H3.
What are the key properties of 3-hydroxy-N-methylpropane-1-sulfonamide?
3-hydroxy-N-methylpropane-1-sulfonamide has a molecular weight of 153.20 g/mol, XLogP of -1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 18988131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).