5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine

C16H23NO2S — CID 79862911

IUPAC5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(S(=O)(=O)c2ccc3c(c2)CCC3)C1N
InChIInChI=1S/C16H23NO2S/c1-16(2)9-8-14(15(16)17)20(18,19)13-7-6-11-4-3-5-12(11)10-13/h6-7,10,14-15H,3-5,8-9,17H2,1-2H3
InChIKeyCZLYUVSNPLUPDE-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.46
Rot. Bonds2

About 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine

5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine (PubChem CID 79862911) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine
PubChem CID79862911
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(S(=O)(=O)c2ccc3c(c2)CCC3)C1N
InChIInChI=1S/C16H23NO2S/c1-16(2)9-8-14(15(16)17)20(18,19)13-7-6-11-4-3-5-12(11)10-13/h6-7,10,14-15H,3-5,8-9,17H2,1-2H3
InChIKeyCZLYUVSNPLUPDE-UHFFFAOYSA-N
XLogP2.46
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine
CID 64904903
4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine
CID 55115124
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779558
6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine
CID 79848176
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclopentan-1-one
CID 64642187
5-(2,5-dichlorophenyl)sulfonyl-2,2-dimethylcyclopentan-1-amine
CID 79863760
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718
N-(2-aminocyclopentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 63251986
(3S,4R)-N-cycloheptyl-1,1-dioxo-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)thiolan-3-amine
CID 39774882
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871391
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpyrrolidin-3-amine
CID 103576458
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine (CID 79862911) is 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine is CC1(C)CCC(S(=O)(=O)c2ccc3c(c2)CCC3)C1N.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine?
The InChIKey is CZLYUVSNPLUPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-16(2)9-8-14(15(16)17)20(18,19)13-7-6-11-4-3-5-12(11)10-13/h6-7,10,14-15H,3-5,8-9,17H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine?
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79862911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).