2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide

C14H18N2O2S2 — CID 106053233

IUPAC2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1ccsc1)NS(=O)(=O)c1ccccc1CN
InChIInChI=1S/C14H18N2O2S2/c1-11(8-12-6-7-19-10-12)16-20(17,18)14-5-3-2-4-13(14)9-15/h2-7,10-11,16H,8-9,15H2,1H3
InChIKeyFOUKIJKAZMRFFE-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.12
Rot. Bonds6

About 2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide

2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide (PubChem CID 106053233) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
PubChem CID106053233
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1ccsc1)NS(=O)(=O)c1ccccc1CN
InChIInChI=1S/C14H18N2O2S2/c1-11(8-12-6-7-19-10-12)16-20(17,18)14-5-3-2-4-13(14)9-15/h2-7,10-11,16H,8-9,15H2,1H3
InChIKeyFOUKIJKAZMRFFE-UHFFFAOYSA-N
XLogP2.12
TPSA72.19 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 ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 47358916
2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 62152021
5-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474831
5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 54954014
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945773
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474983
3-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-sulfonamide
CID 103305478
3-amino-1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazole-4-sulfonamide
CID 61474909
4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 65479835
5-bromo-2-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61223337
4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 63420478
3-amino-2-phenyl-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 62877508

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide (CID 106053233) is 2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide is CC(Cc1ccsc1)NS(=O)(=O)c1ccccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is FOUKIJKAZMRFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-11(8-12-6-7-19-10-12)16-20(17,18)14-5-3-2-4-13(14)9-15/h2-7,10-11,16H,8-9,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106053233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).