N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide

C7H14N2O2S — CID 66186322

IUPACN-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NC1CNC1
InChIInChI=1S/C7H14N2O2S/c10-12(11,5-6-1-2-6)9-7-3-8-4-7/h6-9H,1-5H2
InChIKeyKSZFJRIGDYKLBA-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.71
Rot. Bonds4

About N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide

N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide (PubChem CID 66186322) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide
PubChem CID66186322
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NC1CNC1
InChIInChI=1S/C7H14N2O2S/c10-12(11,5-6-1-2-6)9-7-3-8-4-7/h6-9H,1-5H2
InChIKeyKSZFJRIGDYKLBA-UHFFFAOYSA-N
XLogP-0.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
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)-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide (CID 66186322) is N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide is O=S(=O)(CC1CC1)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide?
The InChIKey is KSZFJRIGDYKLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c10-12(11,5-6-1-2-6)9-7-3-8-4-7/h6-9H,1-5H2.
What are the key properties of N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide?
N-(azetidin-3-yl)-1-cyclopropylmethanesulfonamide has a molecular weight of 190.27 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)-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 66186322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).