1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride

C16H25ClN2O2S — CID 120779558

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(S(=O)(=O)c2ccc3c(c2)CCC3)CCC1N.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-16(2)11-18(9-8-15(16)17)21(19,20)14-7-6-12-4-3-5-13(12)10-14;/h6-7,10,15H,3-5,8-9,11,17H2,1-2H3;1H
InChIKeyXFEQPEYBOPCAQA-UHFFFAOYSA-N
MW344.91 g/mol
LogP2.35
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120779558) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120779558
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(S(=O)(=O)c2ccc3c(c2)CCC3)CCC1N.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-16(2)11-18(9-8-15(16)17)21(19,20)14-7-6-12-4-3-5-13(12)10-14;/h6-7,10,15H,3-5,8-9,11,17H2,1-2H3;1H
InChIKeyXFEQPEYBOPCAQA-UHFFFAOYSA-N
XLogP2.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
1-[5-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 120779993
7-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-isoquinolin-1-one
CID 120779618
(3R)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962436
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871391
3,3-dimethyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120779851
N-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48737342
1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120778940
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298
methyl 4-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzoate;hydrochloride
CID 120779215
3,3-dimethyl-1-quinolin-6-ylsulfonylpiperidin-4-amine;hydrochloride
CID 120779776

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120779558) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride is CC1(C)CN(S(=O)(=O)c2ccc3c(c2)CCC3)CCC1N.Cl.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is XFEQPEYBOPCAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S.ClH/c1-16(2)11-18(9-8-15(16)17)21(19,20)14-7-6-12-4-3-5-13(12)10-14;/h6-7,10,15H,3-5,8-9,11,17H2,1-2H3;1H.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 344.91 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120779558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).