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

C15H21NO2S — CID 64904903

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO2S/c1-10-14(16)7-8-15(10)19(17,18)13-6-5-11-3-2-4-12(11)9-13/h5-6,9-10,14-15H,2-4,7-8,16H2,1H3
InChIKeyGCJNWQYRMLPABG-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.07
Rot. Bonds2

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

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine (PubChem CID 64904903) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine
PubChem CID64904903
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine
SMILESCC1C(N)CCC1S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H21NO2S/c1-10-14(16)7-8-15(10)19(17,18)13-6-5-11-3-2-4-12(11)9-13/h5-6,9-10,14-15H,2-4,7-8,16H2,1H3
InChIKeyGCJNWQYRMLPABG-UHFFFAOYSA-N
XLogP2.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine (CID 64904903) is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine is CC1C(N)CCC1S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine?
The InChIKey is GCJNWQYRMLPABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-10-14(16)7-8-15(10)19(17,18)13-6-5-11-3-2-4-12(11)9-13/h5-6,9-10,14-15H,2-4,7-8,16H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine?
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64904903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).