2-(3-methylbutylsulfonylmethyl)pyrrolidine

C10H21NO2S — CID 115071189

IUPAC2-(3-methylbutylsulfonylmethyl)pyrrolidine
SMILESCC(C)CCS(=O)(=O)CC1CCCN1
InChIInChI=1S/C10H21NO2S/c1-9(2)5-7-14(12,13)8-10-4-3-6-11-10/h9-11H,3-8H2,1-2H3
InChIKeyWTWNSBNAIDEGLG-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.20
Rot. Bonds5

About 2-(3-methylbutylsulfonylmethyl)pyrrolidine

2-(3-methylbutylsulfonylmethyl)pyrrolidine (PubChem CID 115071189) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-(3-methylbutylsulfonylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-methylbutylsulfonylmethyl)pyrrolidine
PubChem CID115071189
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-(3-methylbutylsulfonylmethyl)pyrrolidine
SMILESCC(C)CCS(=O)(=O)CC1CCCN1
InChIInChI=1S/C10H21NO2S/c1-9(2)5-7-14(12,13)8-10-4-3-6-11-10/h9-11H,3-8H2,1-2H3
InChIKeyWTWNSBNAIDEGLG-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylbutylsulfonylmethyl)pyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-(2-methylpropylsulfonylmethyl)piperidine
CID 97301330
2-(2-methylpropylsulfonylmethyl)piperidine
CID 71777978
methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate
CID 97301316
N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide
CID 107870369
N-cyclopropyl-N-(2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 55001507
(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117
2-(2-ethylsulfonylethyl)pyrrolidine
CID 84663605
N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide
CID 63855870
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
(2S)-2-(3-methylbutyl)piperidine
CID 94379266
2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine
CID 115071203
N-(3,3-dimethylbutan-2-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 104828885

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylsulfonylmethyl)pyrrolidine?
The IUPAC name of 2-(3-methylbutylsulfonylmethyl)pyrrolidine (CID 115071189) is 2-(3-methylbutylsulfonylmethyl)pyrrolidine.
What is the SMILES notation for 2-(3-methylbutylsulfonylmethyl)pyrrolidine?
The canonical SMILES for 2-(3-methylbutylsulfonylmethyl)pyrrolidine is CC(C)CCS(=O)(=O)CC1CCCN1.
What is the InChIKey of 2-(3-methylbutylsulfonylmethyl)pyrrolidine?
The InChIKey is WTWNSBNAIDEGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2)5-7-14(12,13)8-10-4-3-6-11-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-(3-methylbutylsulfonylmethyl)pyrrolidine?
2-(3-methylbutylsulfonylmethyl)pyrrolidine has a molecular weight of 219.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylsulfonylmethyl)pyrrolidine is sourced from PubChem (CID 115071189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).