2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide

C11H13N3O2S2 — CID 114142231

IUPAC2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C11H13N3O2S2/c1-12-8-9-10(5-7-17-9)18(15,16)14-11-4-2-3-6-13-11/h2-7,12H,8H2,1H3,(H,13,14)
InChIKeyQQAOHKIMPHIZDS-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.66
Rot. Bonds5

About 2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide

2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide (PubChem CID 114142231) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide
PubChem CID114142231
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide
SMILESCNCc1sccc1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C11H13N3O2S2/c1-12-8-9-10(5-7-17-9)18(15,16)14-11-4-2-3-6-13-11/h2-7,12H,8H2,1H3,(H,13,14)
InChIKeyQQAOHKIMPHIZDS-UHFFFAOYSA-N
XLogP1.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085927
N-(5-bromo-6-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070384
2-(methylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088650
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106059497
2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082623
N-(4-ethylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 107215762
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
N-(5-bromo-3-methyl-2-pyridinyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076794
2-(methylaminomethyl)-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide
CID 106092583
2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide
CID 114174631
N-(4-methoxy-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106056030
N-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106086895

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide?
The IUPAC name of 2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide (CID 114142231) is 2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide?
The canonical SMILES for 2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide is CNCc1sccc1S(=O)(=O)Nc1ccccn1.
What is the InChIKey of 2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide?
The InChIKey is QQAOHKIMPHIZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-12-8-9-10(5-7-17-9)18(15,16)14-11-4-2-3-6-13-11/h2-7,12H,8H2,1H3,(H,13,14).
What are the key properties of 2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide?
2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide is sourced from PubChem (CID 114142231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).