2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine

C13H19NS — CID 64612132

IUPAC2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)CSC1Cc2ccccc2C1N
InChIInChI=1S/C13H19NS/c1-9(2)8-15-12-7-10-5-3-4-6-11(10)13(12)14/h3-6,9,12-13H,7-8,14H2,1-2H3
InChIKeyNWGCBQBHDCBSPL-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.00
Rot. Bonds3

About 2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine

2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 64612132) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID64612132
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)CSC1Cc2ccccc2C1N
InChIInChI=1S/C13H19NS/c1-9(2)8-15-12-7-10-5-3-4-6-11(10)13(12)14/h3-6,9,12-13H,7-8,14H2,1-2H3
InChIKeyNWGCBQBHDCBSPL-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine (CID 64612132) is 2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine is CC(C)CSC1Cc2ccccc2C1N.
What is the InChIKey of 2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NWGCBQBHDCBSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-9(2)8-15-12-7-10-5-3-4-6-11(10)13(12)14/h3-6,9,12-13H,7-8,14H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine?
2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 221.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 64612132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).