4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide

C14H19N3O2S2 — CID 106073992

IUPAC4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(CN)cs2)cc1N(C)C
InChIInChI=1S/C14H19N3O2S2/c1-10-4-5-12(7-13(10)17(2)3)16-21(18,19)14-6-11(8-15)9-20-14/h4-7,9,16H,8,15H2,1-3H3
InChIKeyDNIVKCGHPYCMKK-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.38
Rot. Bonds5

About 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide

4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide (PubChem CID 106073992) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
PubChem CID106073992
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(CN)cs2)cc1N(C)C
InChIInChI=1S/C14H19N3O2S2/c1-10-4-5-12(7-13(10)17(2)3)16-21(18,19)14-6-11(8-15)9-20-14/h4-7,9,16H,8,15H2,1-3H3
InChIKeyDNIVKCGHPYCMKK-UHFFFAOYSA-N
XLogP2.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide
CID 115375941
4-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)thiophene-2-sulfonamide
CID 106048197
2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene
CID 112573869
N-[3-(dimethylamino)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169371894
4-(aminomethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 106088925
4-(aminomethyl)-N-(1-methylpyrazol-4-yl)thiophene-2-sulfonamide
CID 114134463
1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide
CID 115379001
N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide
CID 115378355
4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106087571
4-(aminomethyl)-N-(2-chlorophenyl)thiophene-2-sulfonamide
CID 114141245
2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide
CID 115379035
4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide
CID 106095139

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide (CID 106073992) is 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc(CN)cs2)cc1N(C)C.
What is the InChIKey of 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide?
The InChIKey is DNIVKCGHPYCMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10-4-5-12(7-13(10)17(2)3)16-21(18,19)14-6-11(8-15)9-20-14/h4-7,9,16H,8,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide?
4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106073992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).