N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride

C15H26ClN3O3S2 — CID 119509213

IUPACN-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1.Cl
InChIInChI=1S/C15H25N3O3S2.ClH/c1-3-16-8-9-17-15(19)13-5-4-10-18(11-13)23(20,21)14-7-6-12(2)22-14;/h6-7,13,16H,3-5,8-11H2,1-2H3,(H,17,19);1H
InChIKeyQQVIZPYZTKTLIU-UHFFFAOYSA-N
MW395.98 g/mol
LogP1.60
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride

N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119509213) has the molecular formula C15H26ClN3O3S2 and a molecular weight of 395.98 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
PubChem CID119509213
Molecular FormulaC15H26ClN3O3S2
Molecular Weight395.98 g/mol
Exact Mass395.11
IUPAC NameN-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1.Cl
InChIInChI=1S/C15H25N3O3S2.ClH/c1-3-16-8-9-17-15(19)13-5-4-10-18(11-13)23(20,21)14-7-6-12(2)22-14;/h6-7,13,16H,3-5,8-11H2,1-2H3,(H,17,19);1H
InChIKeyQQVIZPYZTKTLIU-UHFFFAOYSA-N
XLogP1.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.98
LogP ≤ 51.60
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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Related Compounds

(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
ethyl N-[2-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 56558739
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
N-[4-(4-methylpiperazin-1-yl)butyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55656566
N-[2-(2,6-dimethylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55717146
2,2-dimethyl-3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119250310
(3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 38554962
1-(5-methylthiophen-2-yl)sulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 55526975
N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 119996944
N-[3-(aminomethyl)pentan-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119571833
N-(3-imidazol-1-ylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 134057571
1-(5-methylthiophen-2-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 46521915

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride (CID 119509213) is N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride is CCNCCNC(=O)C1CCCN(S(=O)(=O)c2ccc(C)s2)C1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is QQVIZPYZTKTLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S2.ClH/c1-3-16-8-9-17-15(19)13-5-4-10-18(11-13)23(20,21)14-7-6-12(2)22-14;/h6-7,13,16H,3-5,8-11H2,1-2H3,(H,17,19);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride?
N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 395.98 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119509213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).