2-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine

C12H23NO2S — CID 72512737

IUPAC2-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine
SMILESCC(C)S(=O)(=O)N1CC1CC1CCCCC1
InChIInChI=1S/C12H23NO2S/c1-10(2)16(14,15)13-9-12(13)8-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3
InChIKeyTZKHJWNOPFEOGF-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.38
Rot. Bonds4

About 2-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine

2-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine (PubChem CID 72512737) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine
PubChem CID72512737
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name2-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine
SMILESCC(C)S(=O)(=O)N1CC1CC1CCCCC1
InChIInChI=1S/C12H23NO2S/c1-10(2)16(14,15)13-9-12(13)8-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3
InChIKeyTZKHJWNOPFEOGF-UHFFFAOYSA-N
XLogP2.38
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine 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-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine?
The IUPAC name of 2-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine (CID 72512737) is 2-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine.
What is the SMILES notation for 2-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine?
The canonical SMILES for 2-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine is CC(C)S(=O)(=O)N1CC1CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine?
The InChIKey is TZKHJWNOPFEOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-10(2)16(14,15)13-9-12(13)8-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine?
2-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine has a molecular weight of 245.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine is sourced from PubChem (CID 72512737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).