N-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide

C9H20N2O2S2 — CID 112661633

IUPACN-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCSCCN(C)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C9H20N2O2S2/c1-11(6-7-14-2)15(12,13)8-9-4-3-5-10-9/h9-10H,3-8H2,1-2H3
InChIKeyBSEVLACIZKQJEM-UHFFFAOYSA-N
MW252.40 g/mol
LogP0.36
Rot. Bonds6

About N-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide

N-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 112661633) has the molecular formula C9H20N2O2S2 and a molecular weight of 252.40 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID112661633
Molecular FormulaC9H20N2O2S2
Molecular Weight252.40 g/mol
Exact Mass252.10
IUPAC NameN-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCSCCN(C)S(=O)(=O)CC1CCCN1
InChIInChI=1S/C9H20N2O2S2/c1-11(6-7-14-2)15(12,13)8-9-4-3-5-10-9/h9-10H,3-8H2,1-2H3
InChIKeyBSEVLACIZKQJEM-UHFFFAOYSA-N
XLogP0.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide 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

N-[2-(dimethylamino)ethyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 55227545
N-methyl-1-piperidin-2-yl-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 81057169
N-(cyclobutylmethyl)-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 55125771
N-cycloheptyl-N-methyl-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972486
2-(2-methylsulfanylethyl)pyrrolidine
CID 81142989
N-methyl-N-(2-methylsulfanylethyl)-2-piperidin-2-ylethanamine
CID 112659937
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 105419208
(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117
2-(3-methylsulfanylpropyl)pyrrolidine
CID 62479260
N-[2-(dimethylamino)ethyl]-N-methyl-2-piperidin-2-ylethanesulfonamide
CID 63700740
N-cyclopropyl-N-(2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 55001507
N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide
CID 107870369

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 112661633) is N-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide is CSCCN(C)S(=O)(=O)CC1CCCN1.
What is the InChIKey of N-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is BSEVLACIZKQJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S2/c1-11(6-7-14-2)15(12,13)8-9-4-3-5-10-9/h9-10H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 252.40 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfanylethyl)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 112661633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).