N-[3-(dimethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride

C17H26ClN3O3S2 — CID 11539008

IUPACN-[3-(dimethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCCCN(C)C)s2)c(C)[nH]c1=O.Cl
InChIInChI=1S/C17H25N3O3S2.ClH/c1-5-13-11-14(12(2)19-17(13)21)15-7-8-16(24-15)25(22,23)18-9-6-10-20(3)4;/h7-8,11,18H,5-6,9-10H2,1-4H3,(H,19,21);1H
InChIKeyFMGGISLRLUHCAZ-UHFFFAOYSA-N
MW420.00 g/mol
LogP2.63
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride

N-[3-(dimethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 11539008) has the molecular formula C17H26ClN3O3S2 and a molecular weight of 420.00 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride
PubChem CID11539008
Molecular FormulaC17H26ClN3O3S2
Molecular Weight420.00 g/mol
Exact Mass419.11
IUPAC NameN-[3-(dimethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride
SMILESCCc1cc(-c2ccc(S(=O)(=O)NCCCN(C)C)s2)c(C)[nH]c1=O.Cl
InChIInChI=1S/C17H25N3O3S2.ClH/c1-5-13-11-14(12(2)19-17(13)21)15-7-8-16(24-15)25(22,23)18-9-6-10-20(3)4;/h7-8,11,18H,5-6,9-10H2,1-4H3,(H,19,21);1H
InChIKeyFMGGISLRLUHCAZ-UHFFFAOYSA-N
XLogP2.63
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.00
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride (CID 11539008) is N-[3-(dimethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride is CCc1cc(-c2ccc(S(=O)(=O)NCCCN(C)C)s2)c(C)[nH]c1=O.Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride?
The InChIKey is FMGGISLRLUHCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S2.ClH/c1-5-13-11-14(12(2)19-17(13)21)15-7-8-16(24-15)25(22,23)18-9-6-10-20(3)4;/h7-8,11,18H,5-6,9-10H2,1-4H3,(H,19,21);1H.
What are the key properties of N-[3-(dimethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride?
N-[3-(dimethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 420.00 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 11539008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).