2-(azetidin-3-yl)-N-propan-2-ylethanesulfonamide

C8H18N2O2S — CID 115024924

IUPAC2-(azetidin-3-yl)-N-propan-2-ylethanesulfonamide
SMILESCC(C)NS(=O)(=O)CCC1CNC1
InChIInChI=1S/C8H18N2O2S/c1-7(2)10-13(11,12)4-3-8-5-9-6-8/h7-10H,3-6H2,1-2H3
InChIKeyJKXQNNQMBQMPFH-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.08
Rot. Bonds5

About 2-(azetidin-3-yl)-N-propan-2-ylethanesulfonamide

2-(azetidin-3-yl)-N-propan-2-ylethanesulfonamide (PubChem CID 115024924) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-propan-2-ylethanesulfonamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-propan-2-ylethanesulfonamide
PubChem CID115024924
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(azetidin-3-yl)-N-propan-2-ylethanesulfonamide
SMILESCC(C)NS(=O)(=O)CCC1CNC1
InChIInChI=1S/C8H18N2O2S/c1-7(2)10-13(11,12)4-3-8-5-9-6-8/h7-10H,3-6H2,1-2H3
InChIKeyJKXQNNQMBQMPFH-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 2-(azetidin-3-yl)-N-propan-2-ylethanesulfonamide?
The IUPAC name of 2-(azetidin-3-yl)-N-propan-2-ylethanesulfonamide (CID 115024924) is 2-(azetidin-3-yl)-N-propan-2-ylethanesulfonamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-propan-2-ylethanesulfonamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-propan-2-ylethanesulfonamide is CC(C)NS(=O)(=O)CCC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-propan-2-ylethanesulfonamide?
The InChIKey is JKXQNNQMBQMPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(2)10-13(11,12)4-3-8-5-9-6-8/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-N-propan-2-ylethanesulfonamide?
2-(azetidin-3-yl)-N-propan-2-ylethanesulfonamide 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 2-(azetidin-3-yl)-N-propan-2-ylethanesulfonamide is sourced from PubChem (CID 115024924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).