2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide

C14H19N3O2S2 — CID 102751202

IUPAC2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)N(C)CCc1ccccn1
InChIInChI=1S/C14H19N3O2S2/c1-11-10-20-13(9-15)14(11)21(18,19)17(2)8-6-12-5-3-4-7-16-12/h3-5,7,10H,6,8-9,15H2,1-2H3
InChIKeyRPGFLJMODUKSBK-UHFFFAOYSA-N
MW325.46 g/mol
LogP1.77
Rot. Bonds6

About 2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide

2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide (PubChem CID 102751202) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
PubChem CID102751202
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)N(C)CCc1ccccn1
InChIInChI=1S/C14H19N3O2S2/c1-11-10-20-13(9-15)14(11)21(18,19)17(2)8-6-12-5-3-4-7-16-12/h3-5,7,10H,6,8-9,15H2,1-2H3
InChIKeyRPGFLJMODUKSBK-UHFFFAOYSA-N
XLogP1.77
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3,5-trimethyl-N-(2-pyridin-2-ylethyl)-1H-pyrazole-4-sulfonamide
CID 43091245
5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 60660829
2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104193
N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 60548735
N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide
CID 91650887
1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2814680
N-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 52552426
N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61349685
N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-3-sulfonamide
CID 176872849
N,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 102754325

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide (CID 102751202) is 2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide is Cc1csc(CN)c1S(=O)(=O)N(C)CCc1ccccn1.
What is the InChIKey of 2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide?
The InChIKey is RPGFLJMODUKSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-11-10-20-13(9-15)14(11)21(18,19)17(2)8-6-12-5-3-4-7-16-12/h3-5,7,10H,6,8-9,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide?
2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,4-dimethyl-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102751202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).