1-(cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine

C13H25NO3S — CID 175184417

IUPAC1-(cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine
SMILESCOCC1CCN(S(=O)(=O)CC2CCCCC2)C1
InChIInChI=1S/C13H25NO3S/c1-17-10-13-7-8-14(9-13)18(15,16)11-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3
InChIKeyVLGRQTSYZOJTGA-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.86
Rot. Bonds5

About 1-(cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine

1-(cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine (PubChem CID 175184417) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 1-(cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-(cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine
PubChem CID175184417
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name1-(cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine
SMILESCOCC1CCN(S(=O)(=O)CC2CCCCC2)C1
InChIInChI=1S/C13H25NO3S/c1-17-10-13-7-8-14(9-13)18(15,16)11-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3
InChIKeyVLGRQTSYZOJTGA-UHFFFAOYSA-N
XLogP1.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine 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 1-(cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-(cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine (CID 175184417) is 1-(cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-(cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-(cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine is COCC1CCN(S(=O)(=O)CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine?
The InChIKey is VLGRQTSYZOJTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-17-10-13-7-8-14(9-13)18(15,16)11-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3.
What are the key properties of 1-(cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine?
1-(cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine has a molecular weight of 275.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylsulfonyl)-3-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 175184417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).