N-(azetidin-3-yl)propane-1-sulfonamide

C6H14N2O2S — CID 66184932

IUPACN-(azetidin-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CNC1
InChIInChI=1S/C6H14N2O2S/c1-2-3-11(9,10)8-6-4-7-5-6/h6-8H,2-5H2,1H3
InChIKeyQUUKHCYXVDLLNF-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.71
Rot. Bonds4

About N-(azetidin-3-yl)propane-1-sulfonamide

N-(azetidin-3-yl)propane-1-sulfonamide (PubChem CID 66184932) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is N-(azetidin-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)propane-1-sulfonamide
PubChem CID66184932
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC NameN-(azetidin-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CNC1
InChIInChI=1S/C6H14N2O2S/c1-2-3-11(9,10)8-6-4-7-5-6/h6-8H,2-5H2,1H3
InChIKeyQUUKHCYXVDLLNF-UHFFFAOYSA-N
XLogP-0.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)propane-1-sulfonamide?
The IUPAC name of N-(azetidin-3-yl)propane-1-sulfonamide (CID 66184932) is N-(azetidin-3-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)propane-1-sulfonamide?
The canonical SMILES for N-(azetidin-3-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)propane-1-sulfonamide?
The InChIKey is QUUKHCYXVDLLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-2-3-11(9,10)8-6-4-7-5-6/h6-8H,2-5H2,1H3.
What are the key properties of N-(azetidin-3-yl)propane-1-sulfonamide?
N-(azetidin-3-yl)propane-1-sulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 66184932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).