2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide

C12H18N2O2S2 — CID 79949483

IUPAC2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
SMILESCc1c(NC2CSC(C)C2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O2S2/c1-8-6-10(7-17-8)14-11-4-3-5-12(9(11)2)18(13,15)16/h3-5,8,10,14H,6-7H2,1-2H3,(H2,13,15,16)
InChIKeyLSYVTEOGCJCHMW-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.95
Rot. Bonds3

About 2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide

2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide (PubChem CID 79949483) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
PubChem CID79949483
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC Name2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
SMILESCc1c(NC2CSC(C)C2)cccc1S(N)(=O)=O
InChIInChI=1S/C12H18N2O2S2/c1-8-6-10(7-17-8)14-11-4-3-5-12(9(11)2)18(13,15)16/h3-5,8,10,14H,6-7H2,1-2H3,(H2,13,15,16)
InChIKeyLSYVTEOGCJCHMW-UHFFFAOYSA-N
XLogP1.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide
CID 103561715
3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide
CID 106821455
2-methyl-3-(thian-3-ylamino)benzenesulfonamide
CID 62870929
2-methyl-N-(5-methylthiolan-3-yl)pyridin-3-amine
CID 79950690
4-methoxy-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
CID 79942009
2-methyl-3-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
CID 82727406
5-methyl-N-(3-methylsulfonylphenyl)thiolan-3-amine
CID 79942473
3-[(4,4-dimethylthian-3-yl)amino]-2-methylbenzenesulfonamide
CID 79948443
2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide
CID 64743862
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide
CID 112633825
2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide
CID 81303161
3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide
CID 62631758

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide?
The IUPAC name of 2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide (CID 79949483) is 2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide is Cc1c(NC2CSC(C)C2)cccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide?
The InChIKey is LSYVTEOGCJCHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-8-6-10(7-17-8)14-11-4-3-5-12(9(11)2)18(13,15)16/h3-5,8,10,14H,6-7H2,1-2H3,(H2,13,15,16).
What are the key properties of 2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide?
2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide has a molecular weight of 286.42 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 79949483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).