4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide

C11H13N3O2S2 — CID 114698293

IUPAC4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide
SMILESCc1cnccc1CNS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H13N3O2S2/c1-8-5-13-3-2-9(8)6-14-18(15,16)11-4-10(12)7-17-11/h2-5,7,14H,6,12H2,1H3
InChIKeyOBIXVBQNQYPDMA-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.51
Rot. Bonds4

About 4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide

4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide (PubChem CID 114698293) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide
PubChem CID114698293
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide
SMILESCc1cnccc1CNS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H13N3O2S2/c1-8-5-13-3-2-9(8)6-14-18(15,16)11-4-10(12)7-17-11/h2-5,7,14H,6,12H2,1H3
InChIKeyOBIXVBQNQYPDMA-UHFFFAOYSA-N
XLogP1.51
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698288
4-amino-2,6-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698306
4-amino-2,6-difluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698255
4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 61301349
4-amino-2-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698284
3-methyl-5-[(3-methyl-4-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114698528
4-amino-N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide
CID 61299183
5-amino-2-chloro-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698332
2-amino-5-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698297
4-amino-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
CID 61299000
4-amino-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide
CID 61298806
4-amino-N-[(6-methoxy-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 62990765

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide (CID 114698293) is 4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide is Cc1cnccc1CNS(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide?
The InChIKey is OBIXVBQNQYPDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-8-5-13-3-2-9(8)6-14-18(15,16)11-4-10(12)7-17-11/h2-5,7,14H,6,12H2,1H3.
What are the key properties of 4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide?
4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 114698293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).