3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide

C10H22N2O2S2 — CID 71805946

IUPAC3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(SC(C)(C)C)C1
InChIInChI=1S/C10H22N2O2S2/c1-10(2,3)15-9-6-7-12(8-9)16(13,14)11(4)5/h9H,6-8H2,1-5H3
InChIKeyWNPADSQVDHMONO-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.40
Rot. Bonds3

About 3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide

3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 71805946) has the molecular formula C10H22N2O2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID71805946
Molecular FormulaC10H22N2O2S2
Molecular Weight266.43 g/mol
Exact Mass266.11
IUPAC Name3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(SC(C)(C)C)C1
InChIInChI=1S/C10H22N2O2S2/c1-10(2,3)15-9-6-7-12(8-9)16(13,14)11(4)5/h9H,6-8H2,1-5H3
InChIKeyWNPADSQVDHMONO-UHFFFAOYSA-N
XLogP1.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide 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 3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide (CID 71805946) is 3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(SC(C)(C)C)C1.
What is the InChIKey of 3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is WNPADSQVDHMONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S2/c1-10(2,3)15-9-6-7-12(8-9)16(13,14)11(4)5/h9H,6-8H2,1-5H3.
What are the key properties of 3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide?
3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 266.43 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfanyl-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 71805946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).