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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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).