N-[1-(azetidin-3-yl)ethyl]propane-1-sulfonamide

C8H18N2O2S — CID 165475732

IUPACN-[1-(azetidin-3-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C1CNC1
InChIInChI=1S/C8H18N2O2S/c1-3-4-13(11,12)10-7(2)8-5-9-6-8/h7-10H,3-6H2,1-2H3
InChIKeyOUDKVVQHSNOSGL-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.08
Rot. Bonds5

About N-[1-(azetidin-3-yl)ethyl]propane-1-sulfonamide

N-[1-(azetidin-3-yl)ethyl]propane-1-sulfonamide (PubChem CID 165475732) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-[1-(azetidin-3-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(azetidin-3-yl)ethyl]propane-1-sulfonamide
PubChem CID165475732
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN-[1-(azetidin-3-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C1CNC1
InChIInChI=1S/C8H18N2O2S/c1-3-4-13(11,12)10-7(2)8-5-9-6-8/h7-10H,3-6H2,1-2H3
InChIKeyOUDKVVQHSNOSGL-UHFFFAOYSA-N
XLogP-0.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(azetidin-3-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[1-(azetidin-3-yl)ethyl]propane-1-sulfonamide (CID 165475732) is N-[1-(azetidin-3-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(azetidin-3-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(azetidin-3-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NC(C)C1CNC1.
What is the InChIKey of N-[1-(azetidin-3-yl)ethyl]propane-1-sulfonamide?
The InChIKey is OUDKVVQHSNOSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-4-13(11,12)10-7(2)8-5-9-6-8/h7-10H,3-6H2,1-2H3.
What are the key properties of N-[1-(azetidin-3-yl)ethyl]propane-1-sulfonamide?
N-[1-(azetidin-3-yl)ethyl]propane-1-sulfonamide has a molecular weight of 206.31 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azetidin-3-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 165475732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).