[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine

C16H24N2O3S — CID 120718968

IUPAC[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)C(CN)C1
InChIInChI=1S/C16H24N2O3S/c1-21-15-7-8-18(14(10-15)11-17)22(19,20)16-6-5-12-3-2-4-13(12)9-16/h5-6,9,14-15H,2-4,7-8,10-11,17H2,1H3
InChIKeyVLVMSHZPHKDWEY-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.30
Rot. Bonds4

About [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine

[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine (PubChem CID 120718968) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine
PubChem CID120718968
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)C(CN)C1
InChIInChI=1S/C16H24N2O3S/c1-21-15-7-8-18(14(10-15)11-17)22(19,20)16-6-5-12-3-2-4-13(12)9-16/h5-6,9,14-15H,2-4,7-8,10-11,17H2,1H3
InChIKeyVLVMSHZPHKDWEY-UHFFFAOYSA-N
XLogP1.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine
CID 120718734
[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine
CID 120718928
[4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine
CID 112622437
[1-(4-butan-2-ylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
CID 120718960
[1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120876159
2-(methoxymethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine
CID 110869990
4-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonyl-N,1-dimethylpyrrole-2-carboxamide
CID 120718793
[1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718815
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol
CID 43574426
[4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 120876151
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
[1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
CID 112622460

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine (CID 120718968) is [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine is COC1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)C(CN)C1.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is VLVMSHZPHKDWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-21-15-7-8-18(14(10-15)11-17)22(19,20)16-6-5-12-3-2-4-13(12)9-16/h5-6,9,14-15H,2-4,7-8,10-11,17H2,1H3.
What are the key properties of [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine?
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 324.45 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 120718968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).