4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H18N2O2S2 — CID 43527794

IUPAC4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1
InChIInChI=1S/C14H18N2O2S2/c1-11(15)12-5-7-14(8-6-12)20(17,18)16(2)10-13-4-3-9-19-13/h3-9,11H,10,15H2,1-2H3
InChIKeyNZDPLHNUXLAJKQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.59
Rot. Bonds5

About 4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 43527794) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID43527794
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1
InChIInChI=1S/C14H18N2O2S2/c1-11(15)12-5-7-14(8-6-12)20(17,18)16(2)10-13-4-3-9-19-13/h3-9,11H,10,15H2,1-2H3
InChIKeyNZDPLHNUXLAJKQ-UHFFFAOYSA-N
XLogP2.59
TPSA63.40 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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 2578354
N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide
CID 167806334
4-bromo-3-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 113242535
N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110733669
2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238133
4-(1-aminoethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64516922
2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
CID 61454199
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79494682
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43527306
4-[methyl(2-thiophen-2-ylethyl)sulfamoyl]benzenecarbothioamide
CID 79491705
1-chloro-N-methyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 63666776
4-(1-aminoethyl)-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107200603

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 43527794) is 4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is CC(N)c1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is NZDPLHNUXLAJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-11(15)12-5-7-14(8-6-12)20(17,18)16(2)10-13-4-3-9-19-13/h3-9,11H,10,15H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43527794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).