N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine

C14H22N2S — CID 112661085

IUPACN-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)N(C)Cc1ccc2c(c1)CCN2
InChIInChI=1S/C14H22N2S/c1-11(10-17-3)16(2)9-12-4-5-14-13(8-12)6-7-15-14/h4-5,8,11,15H,6-7,9-10H2,1-3H3
InChIKeyVIVNMERKBZBJAA-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.84
Rot. Bonds5

About N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine

N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine (PubChem CID 112661085) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine
PubChem CID112661085
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)N(C)Cc1ccc2c(c1)CCN2
InChIInChI=1S/C14H22N2S/c1-11(10-17-3)16(2)9-12-4-5-14-13(8-12)6-7-15-14/h4-5,8,11,15H,6-7,9-10H2,1-3H3
InChIKeyVIVNMERKBZBJAA-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-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

Related Compounds

N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-ethylethanamine
CID 22898575
N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 79491740
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine
CID 55001070
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 55008667
N-methyl-1-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-7-ylmethyl)butan-2-amine
CID 112660977
2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol
CID 112657650
N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-1-amine
CID 43269701
1-(2,3-dihydro-1H-indol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)methanamine
CID 43527635
1-(2,3-dihydro-1H-indol-5-yl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 43563498
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-propylcyclopropanamine
CID 43270522
2-(2,3-dihydro-1H-indol-5-yl)-N,N-diethylethanamine
CID 82255784
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 54985987

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine (CID 112661085) is N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine is CSCC(C)N(C)Cc1ccc2c(c1)CCN2.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine?
The InChIKey is VIVNMERKBZBJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11(10-17-3)16(2)9-12-4-5-14-13(8-12)6-7-15-14/h4-5,8,11,15H,6-7,9-10H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine?
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine has a molecular weight of 250.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 112661085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).