N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide

C14H19N3O2S2 — CID 113015165

IUPACN-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCC(C)CCNc1ccc(NS(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C14H19N3O2S2/c1-11(2)7-8-15-13-6-5-12(10-16-13)17-21(18,19)14-4-3-9-20-14/h3-6,9-11,17H,7-8H2,1-2H3,(H,15,16)
InChIKeyXPEQJQAFAJSNRX-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.40
Rot. Bonds7

About N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide

N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113015165) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID113015165
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCC(C)CCNc1ccc(NS(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C14H19N3O2S2/c1-11(2)7-8-15-13-6-5-12(10-16-13)17-21(18,19)14-4-3-9-20-14/h3-6,9-11,17H,7-8H2,1-2H3,(H,15,16)
InChIKeyXPEQJQAFAJSNRX-UHFFFAOYSA-N
XLogP3.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113025588
N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019944
N-[4-[[6-(3-methylbutylamino)-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 113015172
N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113017131
5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030356
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113018953
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027468
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020133
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027386
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide (CID 113015165) is N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide is CC(C)CCNc1ccc(NS(=O)(=O)c2cccs2)cn1.
What is the InChIKey of N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is XPEQJQAFAJSNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-11(2)7-8-15-13-6-5-12(10-16-13)17-21(18,19)14-4-3-9-20-14/h3-6,9-11,17H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide?
N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113015165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).