2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine

C12H21NO2S — CID 128580030

IUPAC2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine
SMILESCC1(C)CN(S(=O)(=O)C2(C)CC2)C1C1CC1
InChIInChI=1S/C12H21NO2S/c1-11(2)8-13(10(11)9-4-5-9)16(14,15)12(3)6-7-12/h9-10H,4-8H2,1-3H3
InChIKeyMPRMFOJSTYKPCA-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.99
Rot. Bonds3

About 2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine

2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine (PubChem CID 128580030) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine.

Molecular Properties

Compound Name2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine
PubChem CID128580030
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine
SMILESCC1(C)CN(S(=O)(=O)C2(C)CC2)C1C1CC1
InChIInChI=1S/C12H21NO2S/c1-11(2)8-13(10(11)9-4-5-9)16(14,15)12(3)6-7-12/h9-10H,4-8H2,1-3H3
InChIKeyMPRMFOJSTYKPCA-UHFFFAOYSA-N
XLogP1.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine?
The IUPAC name of 2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine (CID 128580030) is 2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine.
What is the SMILES notation for 2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine?
The canonical SMILES for 2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine is CC1(C)CN(S(=O)(=O)C2(C)CC2)C1C1CC1.
What is the InChIKey of 2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine?
The InChIKey is MPRMFOJSTYKPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-11(2)8-13(10(11)9-4-5-9)16(14,15)12(3)6-7-12/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine?
2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine has a molecular weight of 243.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3,3-dimethyl-1-(1-methylcyclopropyl)sulfonylazetidine is sourced from PubChem (CID 128580030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).