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

C13H19NS — CID 115721717

IUPACN-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCSCC(C)NC1CCc2ccccc21
InChIInChI=1S/C13H19NS/c1-10(9-15-2)14-13-8-7-11-5-3-4-6-12(11)13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyHEYXTJKBINDJAJ-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.02
Rot. Bonds4

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

N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 115721717) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID115721717
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCSCC(C)NC1CCc2ccccc21
InChIInChI=1S/C13H19NS/c1-10(9-15-2)14-13-8-7-11-5-3-4-6-12(11)13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyHEYXTJKBINDJAJ-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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

Launch Full Analysis

Related Compounds

(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
N-nonan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 43129999
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-1-ol
CID 115722752
N-(1-morpholin-4-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 43675875
N-(1-cyclopropylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63988882
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 43652089
N-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine
CID 115708061
2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
CID 65315582
2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol
CID 43204004
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol
CID 65333179
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43191940
1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
CID 82946230

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine (CID 115721717) is N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine is CSCC(C)NC1CCc2ccccc21.
What is the InChIKey of N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HEYXTJKBINDJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-10(9-15-2)14-13-8-7-11-5-3-4-6-12(11)13/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine?
N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 221.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115721717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).