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

C13H19NS — CID 63981661

IUPACN-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine
SMILESCSCCCNC1Cc2ccccc2C1
InChIInChI=1S/C13H19NS/c1-15-8-4-7-14-13-9-11-5-2-3-6-12(11)10-13/h2-3,5-6,13-14H,4,7-10H2,1H3
InChIKeyNLTSUTJAQDASSX-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.50
Rot. Bonds5

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

N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 63981661) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID63981661
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine
SMILESCSCCCNC1Cc2ccccc2C1
InChIInChI=1S/C13H19NS/c1-15-8-4-7-14-13-9-11-5-2-3-6-12(11)10-13/h2-3,5-6,13-14H,4,7-10H2,1H3
InChIKeyNLTSUTJAQDASSX-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methylsulfanylpropyl)-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-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine (CID 63981661) is N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine is CSCCCNC1Cc2ccccc2C1.
What is the InChIKey of N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is NLTSUTJAQDASSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-15-8-4-7-14-13-9-11-5-2-3-6-12(11)10-13/h2-3,5-6,13-14H,4,7-10H2,1H3.
What are the key properties of N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine?
N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 221.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 63981661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).