2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide

C14H17FN2O2S2 — CID 102751254

IUPAC2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H17FN2O2S2/c1-10-9-20-13(7-16)14(10)21(18,19)17(2)8-11-4-3-5-12(15)6-11/h3-6,9H,7-8,16H2,1-2H3
InChIKeyUPLBMGFPMSRZQT-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.48
Rot. Bonds5

About 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide

2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide (PubChem CID 102751254) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide
PubChem CID102751254
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC Name2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H17FN2O2S2/c1-10-9-20-13(7-16)14(10)21(18,19)17(2)8-11-4-3-5-12(15)6-11/h3-6,9H,7-8,16H2,1-2H3
InChIKeyUPLBMGFPMSRZQT-UHFFFAOYSA-N
XLogP2.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide
CID 444607
N-benzylthiophene-2-sulfonamide
CID 765826
5-methyl-N-(4-methylbenzyl)thiophene-2-sulfonamide
CID 2148031
N,2,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 2447570
4-fluoro-N-[(3-methyl-2-thienyl)methyl]benzenesulfonamide
CID 2811531
4-[2-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033733
4-[4-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261823
N-(2-cyanoethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519191
4-{2-[(2-Thienylmethyl)amino]ethyl}benzenesulfonamide hydrochloride
CID 2968958
1-Benzyl-4-(thiophene-2-sulfonyl)-piperazine
CID 649627
N-(4-methylbenzyl)-N'-(2-thienylmethyl)sulfamide
CID 1475434
3-(4-Fluorobenzyl)-2-methyl-1-(2-thienylsulfonyl)isothiourea
CID 2354069

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide (CID 102751254) is 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide is Cc1csc(CN)c1S(=O)(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide?
The InChIKey is UPLBMGFPMSRZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-10-9-20-13(7-16)14(10)21(18,19)17(2)8-11-4-3-5-12(15)6-11/h3-6,9H,7-8,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide?
2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide has a molecular weight of 328.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-fluorophenyl)methyl]-N,4-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 102751254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).