N,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide

C14H22N2O2S2 — CID 79956480

IUPACN,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC2CCCSC2C)c1
InChIInChI=1S/C14H22N2O2S2/c1-10-6-7-12(20(17,18)15-3)9-14(10)16-13-5-4-8-19-11(13)2/h6-7,9,11,13,15-16H,4-5,8H2,1-3H3
InChIKeyZKJUWCWASFONMK-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.60
Rot. Bonds4

About N,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide

N,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide (PubChem CID 79956480) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide
PubChem CID79956480
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC NameN,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC2CCCSC2C)c1
InChIInChI=1S/C14H22N2O2S2/c1-10-6-7-12(20(17,18)15-3)9-14(10)16-13-5-4-8-19-11(13)2/h6-7,9,11,13,15-16H,4-5,8H2,1-3H3
InChIKeyZKJUWCWASFONMK-UHFFFAOYSA-N
XLogP2.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide
CID 62873281
N,4-dimethyl-3-(thian-4-ylamino)benzenesulfonamide
CID 43752109
N,N,4-trimethyl-3-[(2-methylthian-3-yl)amino]benzamide
CID 79956560
3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide
CID 79459145
N-(3,4-dimethylphenyl)-2-methylthian-3-amine
CID 79957620
4-[(2-methylthian-3-yl)amino]benzenesulfonamide
CID 79956808
4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 82900869
2-methyl-N-(2-methylsulfonylphenyl)thian-3-amine
CID 79956934
N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 43752081
N-(2-ethylsulfonylphenyl)-2-methylthian-3-amine
CID 79957215
3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide
CID 62981480
4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82898673

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide (CID 79956480) is N,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(C)c(NC2CCCSC2C)c1.
What is the InChIKey of N,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide?
The InChIKey is ZKJUWCWASFONMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-10-6-7-12(20(17,18)15-3)9-14(10)16-13-5-4-8-19-11(13)2/h6-7,9,11,13,15-16H,4-5,8H2,1-3H3.
What are the key properties of N,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide?
N,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide has a molecular weight of 314.48 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 79956480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).