5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide

C15H21N3O2S2 — CID 113030356

IUPAC5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCCC(C)C)cn2)s1
InChIInChI=1S/C15H21N3O2S2/c1-11(2)8-9-16-13-5-6-14(17-10-13)18-22(19,20)15-7-4-12(3)21-15/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyAUAQIZHFCIUHMY-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.71
Rot. Bonds7

About 5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide

5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113030356) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID113030356
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCCC(C)C)cn2)s1
InChIInChI=1S/C15H21N3O2S2/c1-11(2)8-9-16-13-5-6-14(17-10-13)18-22(19,20)15-7-4-12(3)21-15/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyAUAQIZHFCIUHMY-UHFFFAOYSA-N
XLogP3.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030482
5-methyl-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113027958
4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030332
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113032078
N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113035942
N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113015165
N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011521
4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030370
N-[5-(3-methylbutylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113030339
5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide
CID 112985267
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113013655
N-[6-(2-methoxyethylamino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113039493

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide (CID 113030356) is 5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NCCC(C)C)cn2)s1.
What is the InChIKey of 5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is AUAQIZHFCIUHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-11(2)8-9-16-13-5-6-14(17-10-13)18-22(19,20)15-7-4-12(3)21-15/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide?
5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 339.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113030356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).