2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide

C14H18N2O2S2 — CID 65245869

IUPAC2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1cc(C)c(C)s1
InChIInChI=1S/C14H18N2O2S2/c1-10-8-12(19-11(10)2)9-16-13-6-4-5-7-14(13)20(17,18)15-3/h4-8,15-16H,9H2,1-3H3
InChIKeyMKXHKPFUNZJOHX-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.89
Rot. Bonds5

About 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide

2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 65245869) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
PubChem CID65245869
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1cc(C)c(C)s1
InChIInChI=1S/C14H18N2O2S2/c1-10-8-12(19-11(10)2)9-16-13-6-4-5-7-14(13)20(17,18)15-3/h4-8,15-16H,9H2,1-3H3
InChIKeyMKXHKPFUNZJOHX-UHFFFAOYSA-N
XLogP2.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(4,5-dimethylthiophen-2-yl)methyl]benzene-1,2-diamine
CID 65246171
N-methyl-2-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 43383430
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 61208189
2-[(4-cyanothiophen-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 79614705
3-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 104540489
2-[(5-amino-2-hydroxyphenyl)methylamino]-N-methylbenzenesulfonamide
CID 60874920
3-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylbenzene-1,3-diamine
CID 65246174
2-[(4,5-dimethylthiophen-2-yl)methylamino]-6-fluorobenzoic acid
CID 79511756
N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62994869
N-ethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 43715254
N-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]benzenesulfonamide
CID 43792036
2-[2-(5-chlorothiophen-2-yl)ethylamino]-N-methylbenzenesulfonamide
CID 106048719

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide (CID 65245869) is 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NCc1cc(C)c(C)s1.
What is the InChIKey of 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is MKXHKPFUNZJOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-10-8-12(19-11(10)2)9-16-13-6-4-5-7-14(13)20(17,18)15-3/h4-8,15-16H,9H2,1-3H3.
What are the key properties of 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide?
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 65245869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).