N-(3-hydroxypropyl)ethanesulfonamide

C5H13NO3S — CID 22364493

IUPACN-(3-hydroxypropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCO
InChIInChI=1S/C5H13NO3S/c1-2-10(8,9)6-4-3-5-7/h6-7H,2-5H2,1H3
InChIKeyDAQQNSIMNNFFGJ-UHFFFAOYSA-N
MW167.23 g/mol
LogP-0.69
Rot. Bonds5

About N-(3-hydroxypropyl)ethanesulfonamide

N-(3-hydroxypropyl)ethanesulfonamide (PubChem CID 22364493) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is N-(3-hydroxypropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)ethanesulfonamide
PubChem CID22364493
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC NameN-(3-hydroxypropyl)ethanesulfonamide
SMILESCCS(=O)(=O)NCCCO
InChIInChI=1S/C5H13NO3S/c1-2-10(8,9)6-4-3-5-7/h6-7H,2-5H2,1H3
InChIKeyDAQQNSIMNNFFGJ-UHFFFAOYSA-N
XLogP-0.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.69
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 N-(3-hydroxypropyl)ethanesulfonamide?
The IUPAC name of N-(3-hydroxypropyl)ethanesulfonamide (CID 22364493) is N-(3-hydroxypropyl)ethanesulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)ethanesulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)ethanesulfonamide is CCS(=O)(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)ethanesulfonamide?
The InChIKey is DAQQNSIMNNFFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-2-10(8,9)6-4-3-5-7/h6-7H,2-5H2,1H3.
What are the key properties of N-(3-hydroxypropyl)ethanesulfonamide?
N-(3-hydroxypropyl)ethanesulfonamide has a molecular weight of 167.23 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)ethanesulfonamide is sourced from PubChem (CID 22364493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).