N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine

C12H18N2O2S2 — CID 120999241

IUPACN-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine
SMILESCNC1CCN(S(=O)(=O)c2cccc(SC)c2)C1
InChIInChI=1S/C12H18N2O2S2/c1-13-10-6-7-14(9-10)18(15,16)12-5-3-4-11(8-12)17-2/h3-5,8,10,13H,6-7,9H2,1-2H3
InChIKeyCDOLAWBBWMPZEC-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.39
Rot. Bonds4

About N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine

N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine (PubChem CID 120999241) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine
PubChem CID120999241
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC NameN-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine
SMILESCNC1CCN(S(=O)(=O)c2cccc(SC)c2)C1
InChIInChI=1S/C12H18N2O2S2/c1-13-10-6-7-14(9-10)18(15,16)12-5-3-4-11(8-12)17-2/h3-5,8,10,13H,6-7,9H2,1-2H3
InChIKeyCDOLAWBBWMPZEC-UHFFFAOYSA-N
XLogP1.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine 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-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714741
N-methyl-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119963029
1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748
N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980208
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298
3-[3-(methylamino)piperidin-1-yl]sulfonylbenzamide
CID 120715451
N,2-dimethyl-4-[3-(methylamino)pyrrolidin-1-yl]sulfonylbenzenesulfonamide;hydrochloride
CID 120999310
1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine
CID 114498866
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963008
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
1-(4-methoxy-3-nitrophenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300359
N-[1-(benzenesulfonyl)pyrrolidin-3-yl]benzenesulfonamide
CID 91241867

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine (CID 120999241) is N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine is CNC1CCN(S(=O)(=O)c2cccc(SC)c2)C1.
What is the InChIKey of N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is CDOLAWBBWMPZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-13-10-6-7-14(9-10)18(15,16)12-5-3-4-11(8-12)17-2/h3-5,8,10,13H,6-7,9H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine?
N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 286.42 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 120999241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).