1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride

C16H25ClN2O2S — CID 119984380

IUPAC1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-12(17)15-6-3-9-18(11-15)21(19,20)16-8-7-13-4-2-5-14(13)10-16;/h7-8,10,12,15H,2-6,9,11,17H2,1H3;1H
InChIKeyQZCVFLKWSBMYIN-UHFFFAOYSA-N
MW344.91 g/mol
LogP2.35
Rot. Bonds3

About 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride

1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 119984380) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride
PubChem CID119984380
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC Name1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-12(17)15-6-3-9-18(11-15)21(19,20)16-8-7-13-4-2-5-14(13)10-16;/h7-8,10,12,15H,2-6,9,11,17H2,1H3;1H
InChIKeyQZCVFLKWSBMYIN-UHFFFAOYSA-N
XLogP2.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984215
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 55257807
1-[1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984263
(1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124684747
N-[4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-2-fluorophenyl]methanesulfonamide
CID 119984443
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
CID 43394280
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119984385
1-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 86813045
(1S)-1-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124553884
1-[1-[4-(methylsulfonylmethyl)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984637
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride (CID 119984380) is 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride is CC(N)C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1.Cl.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is QZCVFLKWSBMYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S.ClH/c1-12(17)15-6-3-9-18(11-15)21(19,20)16-8-7-13-4-2-5-14(13)10-16;/h7-8,10,12,15H,2-6,9,11,17H2,1H3;1H.
What are the key properties of 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride?
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 344.91 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119984380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).