N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride

C16H26ClN3O3S — CID 119498558

IUPACN-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-13(17)8-9-18-16(20)14-6-5-7-15(12-14)23(21,22)19-10-3-2-4-11-19;/h5-7,12-13H,2-4,8-11,17H2,1H3,(H,18,20);1H
InChIKeyZEWGBIGYAUIQGR-UHFFFAOYSA-N
MW375.92 g/mol
LogP1.75
Rot. Bonds6

About N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride

N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride (PubChem CID 119498558) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
PubChem CID119498558
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC NameN-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-13(17)8-9-18-16(20)14-6-5-7-15(12-14)23(21,22)19-10-3-2-4-11-19;/h5-7,12-13H,2-4,8-11,17H2,1H3,(H,18,20);1H
InChIKeyZEWGBIGYAUIQGR-UHFFFAOYSA-N
XLogP1.75
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119382891
N-(3-amino-2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119996017
N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 119508393
N-[(2S)-2-hydroxypropyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86781822
N-[(2S)-2-phenylpropyl]-3-piperidin-1-ylsulfonylbenzamide
CID 9302186
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9301531
3-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)benzamide
CID 38704329
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide
CID 26636971
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
3-(azepan-1-ylsulfonyl)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120651231
N-(2-amino-2-ethylbutyl)-3-(azepan-1-ylsulfonyl)benzamide
CID 119640716
N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688937

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride (CID 119498558) is N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride is CC(N)CCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The InChIKey is ZEWGBIGYAUIQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-13(17)8-9-18-16(20)14-6-5-7-15(12-14)23(21,22)19-10-3-2-4-11-19;/h5-7,12-13H,2-4,8-11,17H2,1H3,(H,18,20);1H.
What are the key properties of N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride?
N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119498558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).