N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine

C13H19NOS — CID 104537653

IUPACN-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
SMILESCC(CS(C)=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H19NOS/c1-10(9-16(2)15)14-13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyCRYATBIBHLKVHJ-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.51
Rot. Bonds4

About N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine

N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 104537653) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
PubChem CID104537653
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
SMILESCC(CS(C)=O)NC1Cc2ccccc2C1
InChIInChI=1S/C13H19NOS/c1-10(9-16(2)15)14-13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyCRYATBIBHLKVHJ-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine (CID 104537653) is N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine is CC(CS(C)=O)NC1Cc2ccccc2C1.
What is the InChIKey of N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is CRYATBIBHLKVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10(9-16(2)15)14-13-7-11-5-3-4-6-12(11)8-13/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine?
N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 237.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 104537653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).