N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide

C14H18N2O2S2 — CID 62056766

IUPACN,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
SMILESCc1ccc(CNc2ccccc2S(=O)(=O)N(C)C)s1
InChIInChI=1S/C14H18N2O2S2/c1-11-8-9-12(19-11)10-15-13-6-4-5-7-14(13)20(17,18)16(2)3/h4-9,15H,10H2,1-3H3
InChIKeyWISXTGUSHQFZNP-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.92
Rot. Bonds5

About N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide

N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide (PubChem CID 62056766) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
PubChem CID62056766
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
SMILESCc1ccc(CNc2ccccc2S(=O)(=O)N(C)C)s1
InChIInChI=1S/C14H18N2O2S2/c1-11-8-9-12(19-11)10-15-13-6-4-5-7-14(13)20(17,18)16(2)3/h4-9,15H,10H2,1-3H3
InChIKeyWISXTGUSHQFZNP-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 43715254
2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28619767
2-[(5-methylthiophen-2-yl)methylamino]benzonitrile
CID 28615853
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79233745
N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
CID 61014343
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide
CID 61044463
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106048174
N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
CID 106896524
N,N-dimethyl-2-[(2-methyl-2-methylsulfonylpropyl)amino]benzenesulfonamide
CID 79562680
N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline
CID 29041025
2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62057216
N,N-dimethyl-4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 71892205

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide (CID 62056766) is N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide is Cc1ccc(CNc2ccccc2S(=O)(=O)N(C)C)s1.
What is the InChIKey of N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide?
The InChIKey is WISXTGUSHQFZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-11-8-9-12(19-11)10-15-13-6-4-5-7-14(13)20(17,18)16(2)3/h4-9,15H,10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide?
N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 62056766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).