3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide

C14H18N2O2S2 — CID 65246264

IUPAC3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCc2cc(C)c(C)s2)c1
InChIInChI=1S/C14H18N2O2S2/c1-9-4-12(15)7-14(5-9)20(17,18)16-8-13-6-10(2)11(3)19-13/h4-7,16H,8,15H2,1-3H3
InChIKeyIVFQLJUGLYOVJW-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.73
Rot. Bonds4

About 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide

3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide (PubChem CID 65246264) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide
PubChem CID65246264
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCc2cc(C)c(C)s2)c1
InChIInChI=1S/C14H18N2O2S2/c1-9-4-12(15)7-14(5-9)20(17,18)16-8-13-6-10(2)11(3)19-13/h4-7,16H,8,15H2,1-3H3
InChIKeyIVFQLJUGLYOVJW-UHFFFAOYSA-N
XLogP2.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide (CID 65246264) is 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCc2cc(C)c(C)s2)c1.
What is the InChIKey of 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide?
The InChIKey is IVFQLJUGLYOVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-9-4-12(15)7-14(5-9)20(17,18)16-8-13-6-10(2)11(3)19-13/h4-7,16H,8,15H2,1-3H3.
What are the key properties of 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide?
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 65246264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).