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

C13H20N2O2S2 — CID 43715600

IUPACN,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NC2CCSCC2)c1
InChIInChI=1S/C13H20N2O2S2/c1-15(2)19(16,17)13-5-3-4-12(10-13)14-11-6-8-18-9-7-11/h3-5,10-11,14H,6-9H2,1-2H3
InChIKeyRKOJSTZFKYXZAY-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.24
Rot. Bonds4

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

N,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide (PubChem CID 43715600) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide
PubChem CID43715600
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC NameN,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NC2CCSCC2)c1
InChIInChI=1S/C13H20N2O2S2/c1-15(2)19(16,17)13-5-3-4-12(10-13)14-11-6-8-18-9-7-11/h3-5,10-11,14H,6-9H2,1-2H3
InChIKeyRKOJSTZFKYXZAY-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43715534
N,N-dimethyl-3-(piperidin-4-ylamino)benzenesulfonamide
CID 54906646
N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]benzenesulfonamide
CID 103561319
3-(thian-4-ylamino)benzoic acid
CID 43511387
N-[(2R)-butan-2-yl]-1-[3-(thian-4-ylamino)phenyl]methanesulfonamide
CID 97079815
N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzenesulfonamide
CID 62704990
N-methyl-3-(thian-3-ylamino)benzenesulfonamide
CID 62871608
N,N-dimethyl-3-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 7062731
4-(cyclopropanecarbonylamino)-N-[3-(dimethylsulfamoyl)phenyl]benzamide
CID 26289281
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea
CID 8660201
N,N-diethyl-3-(thian-4-ylamino)benzamide
CID 43511332
N-[3-(trifluoromethyl)phenyl]thian-4-amine
CID 43511245

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide (CID 43715600) is N,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(NC2CCSCC2)c1.
What is the InChIKey of N,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide?
The InChIKey is RKOJSTZFKYXZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-15(2)19(16,17)13-5-3-4-12(10-13)14-11-6-8-18-9-7-11/h3-5,10-11,14H,6-9H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide?
N,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide has a molecular weight of 300.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(thian-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 43715600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).