N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

C13H28ClN3O3S — CID 119723723

IUPACN-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCS(=O)(=O)NCCNC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C13H27N3O3S.ClH/c1-3-20(18,19)16-8-7-15-13(17)9-11(2)12-5-4-6-14-10-12;/h11-12,14,16H,3-10H2,1-2H3,(H,15,17);1H
InChIKeyKITJFTBQWUBDNM-UHFFFAOYSA-N
MW341.91 g/mol
LogP0.49
Rot. Bonds8

About N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119723723) has the molecular formula C13H28ClN3O3S and a molecular weight of 341.91 g/mol. Its IUPAC name is N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119723723
Molecular FormulaC13H28ClN3O3S
Molecular Weight341.91 g/mol
Exact Mass341.15
IUPAC NameN-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCCS(=O)(=O)NCCNC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C13H27N3O3S.ClH/c1-3-20(18,19)16-8-7-15-13(17)9-11(2)12-5-4-6-14-10-12;/h11-12,14,16H,3-10H2,1-2H3,(H,15,17);1H
InChIKeyKITJFTBQWUBDNM-UHFFFAOYSA-N
XLogP0.49
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.91
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide
CID 119704258
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide
CID 119704175
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81044804
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119723723) is N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is CCS(=O)(=O)NCCNC(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is KITJFTBQWUBDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S.ClH/c1-3-20(18,19)16-8-7-15-13(17)9-11(2)12-5-4-6-14-10-12;/h11-12,14,16H,3-10H2,1-2H3,(H,15,17);1H.
What are the key properties of N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 341.91 g/mol, XLogP of 0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119723723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).