1-(benzenesulfonyl)piperidin-4-amine;hydrochloride

C11H17ClN2O2S — CID 53433554

IUPAC1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C11H16N2O2S.ClH/c12-10-6-8-13(9-7-10)16(14,15)11-4-2-1-3-5-11;/h1-5,10H,6-9,12H2;1H
InChIKeyBAOCNBVLYDBGJA-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.22
Rot. Bonds2

About 1-(benzenesulfonyl)piperidin-4-amine;hydrochloride

1-(benzenesulfonyl)piperidin-4-amine;hydrochloride (PubChem CID 53433554) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 1-(benzenesulfonyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
PubChem CID53433554
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C11H16N2O2S.ClH/c12-10-6-8-13(9-7-10)16(14,15)11-4-2-1-3-5-11;/h1-5,10H,6-9,12H2;1H
InChIKeyBAOCNBVLYDBGJA-UHFFFAOYSA-N
XLogP1.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43556327
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119908256
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
2-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]guanidine
CID 110930257
1-(3-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120998710
4-(4-aminopiperidin-1-yl)sulfonyl-N-cyclopropylbenzenesulfonamide
CID 119959258
3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride
CID 120998716
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 71808782
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-N-ethylethanamine
CID 64586716
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylaniline
CID 2052130

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 1-(benzenesulfonyl)piperidin-4-amine;hydrochloride (CID 53433554) is 1-(benzenesulfonyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(benzenesulfonyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(benzenesulfonyl)piperidin-4-amine;hydrochloride is Cl.NC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)piperidin-4-amine;hydrochloride?
The InChIKey is BAOCNBVLYDBGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S.ClH/c12-10-6-8-13(9-7-10)16(14,15)11-4-2-1-3-5-11;/h1-5,10H,6-9,12H2;1H.
What are the key properties of 1-(benzenesulfonyl)piperidin-4-amine;hydrochloride?
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride has a molecular weight of 276.79 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 53433554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).