3-hydroxypropane-1-sulfonamide

C3H9NO3S — CID 10486918

IUPAC3-hydroxypropane-1-sulfonamide
SMILESNS(=O)(=O)CCCO
InChIInChI=1S/C3H9NO3S/c4-8(6,7)3-1-2-5/h5H,1-3H2,(H2,4,6,7)
InChIKeyMTQKQHPGIPKOEJ-UHFFFAOYSA-N
MW139.18 g/mol
LogP-1.34
Rot. Bonds3

About 3-hydroxypropane-1-sulfonamide

3-hydroxypropane-1-sulfonamide (PubChem CID 10486918) has the molecular formula C3H9NO3S and a molecular weight of 139.18 g/mol. Its IUPAC name is 3-hydroxypropane-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxypropane-1-sulfonamide
PubChem CID10486918
Molecular FormulaC3H9NO3S
Molecular Weight139.18 g/mol
Exact Mass139.03
IUPAC Name3-hydroxypropane-1-sulfonamide
SMILESNS(=O)(=O)CCCO
InChIInChI=1S/C3H9NO3S/c4-8(6,7)3-1-2-5/h5H,1-3H2,(H2,4,6,7)
InChIKeyMTQKQHPGIPKOEJ-UHFFFAOYSA-N
XLogP-1.34
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropane-1-sulfonamide?
The IUPAC name of 3-hydroxypropane-1-sulfonamide (CID 10486918) is 3-hydroxypropane-1-sulfonamide.
What is the SMILES notation for 3-hydroxypropane-1-sulfonamide?
The canonical SMILES for 3-hydroxypropane-1-sulfonamide is NS(=O)(=O)CCCO.
What is the InChIKey of 3-hydroxypropane-1-sulfonamide?
The InChIKey is MTQKQHPGIPKOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3S/c4-8(6,7)3-1-2-5/h5H,1-3H2,(H2,4,6,7).
What are the key properties of 3-hydroxypropane-1-sulfonamide?
3-hydroxypropane-1-sulfonamide has a molecular weight of 139.18 g/mol, XLogP of -1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropane-1-sulfonamide is sourced from PubChem (CID 10486918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).