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

C7H16N2O2S — CID 66187350

IUPACN-(azetidin-3-yl)-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)C1CNC1
InChIInChI=1S/C7H16N2O2S/c1-3-4-12(10,11)9(2)7-5-8-6-7/h7-8H,3-6H2,1-2H3
InChIKeyRSVCHCNVYFRVBH-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.37
Rot. Bonds4

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

N-(azetidin-3-yl)-N-methylpropane-1-sulfonamide (PubChem CID 66187350) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-methylpropane-1-sulfonamide
PubChem CID66187350
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN-(azetidin-3-yl)-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)C1CNC1
InChIInChI=1S/C7H16N2O2S/c1-3-4-12(10,11)9(2)7-5-8-6-7/h7-8H,3-6H2,1-2H3
InChIKeyRSVCHCNVYFRVBH-UHFFFAOYSA-N
XLogP-0.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(azetidin-3-yl)-N-methylpropane-1-sulfonamide?
The IUPAC name of N-(azetidin-3-yl)-N-methylpropane-1-sulfonamide (CID 66187350) is N-(azetidin-3-yl)-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-methylpropane-1-sulfonamide?
The InChIKey is RSVCHCNVYFRVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-3-4-12(10,11)9(2)7-5-8-6-7/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(azetidin-3-yl)-N-methylpropane-1-sulfonamide?
N-(azetidin-3-yl)-N-methylpropane-1-sulfonamide has a molecular weight of 192.28 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 66187350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).