N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride

C13H27ClN2O3S — CID 119773434

IUPACN-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCS(=O)(=O)CCNC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C13H26N2O3S.ClH/c1-3-19(17,18)8-7-15-13(16)9-11(2)12-5-4-6-14-10-12;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H
InChIKeyUNTFLEUGFFYNOL-UHFFFAOYSA-N
MW326.89 g/mol
LogP0.98
Rot. Bonds7

About N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119773434) has the molecular formula C13H27ClN2O3S and a molecular weight of 326.89 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119773434
Molecular FormulaC13H27ClN2O3S
Molecular Weight326.89 g/mol
Exact Mass326.14
IUPAC NameN-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCS(=O)(=O)CCNC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C13H26N2O3S.ClH/c1-3-19(17,18)8-7-15-13(16)9-11(2)12-5-4-6-14-10-12;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H
InChIKeyUNTFLEUGFFYNOL-UHFFFAOYSA-N
XLogP0.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119723723
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81044804
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828131
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384
2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044471
N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724260
N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728333
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119773434) is N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride is CCS(=O)(=O)CCNC(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is UNTFLEUGFFYNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S.ClH/c1-3-19(17,18)8-7-15-13(16)9-11(2)12-5-4-6-14-10-12;/h11-12,14H,3-10H2,1-2H3,(H,15,16);1H.
What are the key properties of N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 326.89 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119773434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).