N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide

C14H18N2O2S2 — CID 56824136

IUPACN-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(C)NCc2ccsc2)c1
InChIInChI=1S/C14H18N2O2S2/c1-11(16-9-12-6-7-19-10-12)13-4-3-5-14(8-13)20(17,18)15-2/h3-8,10-11,15-16H,9H2,1-2H3
InChIKeyLOIIZNOYSHOYBF-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.51
Rot. Bonds6

About N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide

N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide (PubChem CID 56824136) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide
PubChem CID56824136
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(C)NCc2ccsc2)c1
InChIInChI=1S/C14H18N2O2S2/c1-11(16-9-12-6-7-19-10-12)13-4-3-5-14(8-13)20(17,18)15-2/h3-8,10-11,15-16H,9H2,1-2H3
InChIKeyLOIIZNOYSHOYBF-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzylthiophene-2-sulfonamide
CID 765826
Trans-5,6-dihydro-4-ethylamino-6-(n-propyl)-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide
CID 9863339
(4S,6R)-6-ethyl-4-(ethylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 44266117
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
(4S,6S)-6-ethyl-4-(ethylamino)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 44266037
(4S,6R)-4-(ethylamino)-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 44266090
N,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 2447570
N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide
CID 4768760
4-[2-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033733
N-isobutyl-N-[5-(3-methanesulfonyl-phenyl)-thiophen-2-ylmethyl]-C-phenyl-methanesulfonamide
CID 25234324
4-[4-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261823
N-(2-cyanoethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519191

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide (CID 56824136) is N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide is CNS(=O)(=O)c1cccc(C(C)NCc2ccsc2)c1.
What is the InChIKey of N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide?
The InChIKey is LOIIZNOYSHOYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-11(16-9-12-6-7-19-10-12)13-4-3-5-14(8-13)20(17,18)15-2/h3-8,10-11,15-16H,9H2,1-2H3.
What are the key properties of N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide?
N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(thiophen-3-ylmethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 56824136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).