N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide

C13H17N3O2S2 — CID 106085927

IUPACN-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)Nc1cc(C)cc(C)n1
InChIInChI=1S/C13H17N3O2S2/c1-9-6-10(2)15-13(7-9)16-20(17,18)12-4-5-19-11(12)8-14-3/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKeyKFPSFEHOYNRMSK-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.28
Rot. Bonds5

About N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide

N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106085927) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106085927
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)Nc1cc(C)cc(C)n1
InChIInChI=1S/C13H17N3O2S2/c1-9-6-10(2)15-13(7-9)16-20(17,18)12-4-5-19-11(12)8-14-3/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKeyKFPSFEHOYNRMSK-UHFFFAOYSA-N
XLogP2.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070384
2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide
CID 114142231
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059497
2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088650
N-(4-bromo-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106057534
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076794
N-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106086895
N-(3-fluoro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107429534
N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107215762
N-(5-chloro-2-fluorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030361
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106078949
N-(4-methoxy-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106056030

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 106085927) is N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)Nc1cc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is KFPSFEHOYNRMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9-6-10(2)15-13(7-9)16-20(17,18)12-4-5-19-11(12)8-14-3/h4-7,14H,8H2,1-3H3,(H,15,16).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106085927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).