N,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide

C13H20N2O2S2 — CID 62873281

IUPACN,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC2CCCSC2)c1
InChIInChI=1S/C13H20N2O2S2/c1-10-5-6-12(19(16,17)14-2)8-13(10)15-11-4-3-7-18-9-11/h5-6,8,11,14-15H,3-4,7,9H2,1-2H3
InChIKeySHSFRCCORWTJKC-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.21
Rot. Bonds4

About N,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide

N,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide (PubChem CID 62873281) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide
PubChem CID62873281
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC NameN,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC2CCCSC2)c1
InChIInChI=1S/C13H20N2O2S2/c1-10-5-6-12(19(16,17)14-2)8-13(10)15-11-4-3-7-18-9-11/h5-6,8,11,14-15H,3-4,7,9H2,1-2H3
InChIKeySHSFRCCORWTJKC-UHFFFAOYSA-N
XLogP2.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-(thian-3-ylamino)benzenesulfonamide
CID 55129972
N,4-dimethyl-3-(thian-4-ylamino)benzenesulfonamide
CID 43752109
N-methyl-3-(thian-3-ylamino)benzenesulfonamide
CID 62871608
3-[(3-aminocyclohexyl)amino]-N,4-dimethylbenzenesulfonamide
CID 79459145
N,4-dimethyl-3-[(2-methylthian-3-yl)amino]benzenesulfonamide
CID 79956480
4-methyl-3-(thian-3-ylamino)benzonitrile
CID 62872013
5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide
CID 103287438
N-methyl-3-[(thian-3-ylamino)methyl]benzenesulfonamide
CID 86787431
3-[(1-cyclopropylpyrrolidin-3-yl)amino]-N,4-dimethylbenzenesulfonamide
CID 62981480
N-(4-bromo-2-methylphenyl)thian-3-amine
CID 62872313
(3R)-N-(3,4-dimethylphenyl)thian-3-amine
CID 94885650
2-methyl-3-(thian-3-ylamino)benzenesulfonamide
CID 62870929

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide (CID 62873281) is N,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(C)c(NC2CCCSC2)c1.
What is the InChIKey of N,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide?
The InChIKey is SHSFRCCORWTJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-10-5-6-12(19(16,17)14-2)8-13(10)15-11-4-3-7-18-9-11/h5-6,8,11,14-15H,3-4,7,9H2,1-2H3.
What are the key properties of N,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide?
N,4-dimethyl-3-(thian-3-ylamino)benzenesulfonamide has a molecular weight of 300.45 g/mol, XLogP of 2.21, 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-(thian-3-ylamino)benzenesulfonamide is sourced from PubChem (CID 62873281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).