N-(1-methylazetidin-3-yl)propane-2-sulfonamide

C7H16N2O2S — CID 90442623

IUPACN-(1-methylazetidin-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CN(C)C1
InChIInChI=1S/C7H16N2O2S/c1-6(2)12(10,11)8-7-4-9(3)5-7/h6-8H,4-5H2,1-3H3
InChIKeyMWJDUJFYDUAJRD-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.37
Rot. Bonds3

About N-(1-methylazetidin-3-yl)propane-2-sulfonamide

N-(1-methylazetidin-3-yl)propane-2-sulfonamide (PubChem CID 90442623) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N-(1-methylazetidin-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methylazetidin-3-yl)propane-2-sulfonamide
PubChem CID90442623
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN-(1-methylazetidin-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CN(C)C1
InChIInChI=1S/C7H16N2O2S/c1-6(2)12(10,11)8-7-4-9(3)5-7/h6-8H,4-5H2,1-3H3
InChIKeyMWJDUJFYDUAJRD-UHFFFAOYSA-N
XLogP-0.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylazetidin-3-yl)propane-2-sulfonamide?
The IUPAC name of N-(1-methylazetidin-3-yl)propane-2-sulfonamide (CID 90442623) is N-(1-methylazetidin-3-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-methylazetidin-3-yl)propane-2-sulfonamide?
The canonical SMILES for N-(1-methylazetidin-3-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CN(C)C1.
What is the InChIKey of N-(1-methylazetidin-3-yl)propane-2-sulfonamide?
The InChIKey is MWJDUJFYDUAJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-6(2)12(10,11)8-7-4-9(3)5-7/h6-8H,4-5H2,1-3H3.
What are the key properties of N-(1-methylazetidin-3-yl)propane-2-sulfonamide?
N-(1-methylazetidin-3-yl)propane-2-sulfonamide has a molecular weight of 192.28 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylazetidin-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 90442623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).