N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide

C13H18N4O2S2 — CID 113025588

IUPACN-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide
SMILESCN(C)CCNc1ccc(NS(=O)(=O)c2cccs2)nc1
InChIInChI=1S/C13H18N4O2S2/c1-17(2)8-7-14-11-5-6-12(15-10-11)16-21(18,19)13-4-3-9-20-13/h3-6,9-10,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyKTINGMOAYIGWMJ-UHFFFAOYSA-N
MW326.45 g/mol
LogP1.92
Rot. Bonds7

About N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide

N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113025588) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide
PubChem CID113025588
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC NameN-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide
SMILESCN(C)CCNc1ccc(NS(=O)(=O)c2cccs2)nc1
InChIInChI=1S/C13H18N4O2S2/c1-17(2)8-7-14-11-5-6-12(15-10-11)16-21(18,19)13-4-3-9-20-13/h3-6,9-10,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyKTINGMOAYIGWMJ-UHFFFAOYSA-N
XLogP1.92
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(dimethylamino)ethylamino]phenyl]thiophene-2-sulfonamide
CID 112981383
5-[2-(dimethylamino)ethylamino]-2-(dimethylsulfamoylamino)pyridine
CID 113025561
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027468
N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113027386
N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152
N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517
N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113015165
N-[5-(4-chloroanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113033430
N-(5-bromo-2-pyridinyl)thiophene-2-sulfonamide
CID 778331
N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113017131
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020133
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide (CID 113025588) is N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide is CN(C)CCNc1ccc(NS(=O)(=O)c2cccs2)nc1.
What is the InChIKey of N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is KTINGMOAYIGWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-17(2)8-7-14-11-5-6-12(15-10-11)16-21(18,19)13-4-3-9-20-13/h3-6,9-10,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide?
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113025588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).