2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol

C14H21NOS — CID 66102793

IUPAC2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol
SMILESCNC1c2ccccc2CC1SCC(C)CO
InChIInChI=1S/C14H21NOS/c1-10(8-16)9-17-13-7-11-5-3-4-6-12(11)14(13)15-2/h3-6,10,13-16H,7-9H2,1-2H3
InChIKeyLCAHLWLAYZRDIY-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.23
Rot. Bonds5

About 2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol

2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol (PubChem CID 66102793) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol
PubChem CID66102793
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol
SMILESCNC1c2ccccc2CC1SCC(C)CO
InChIInChI=1S/C14H21NOS/c1-10(8-16)9-17-13-7-11-5-3-4-6-12(11)14(13)15-2/h3-6,10,13-16H,7-9H2,1-2H3
InChIKeyLCAHLWLAYZRDIY-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol with MolForge

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Related Compounds

3-[[6-methoxy-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-2-methylpropan-1-ol
CID 79375512
2-(furan-2-ylmethylsulfanyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64609273
2-methyl-3-[[4-methyl-1-(propylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]propan-1-ol
CID 115420608
2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64619137
2-methyl-3-[[4-(propylamino)-3,4-dihydro-2H-chromen-3-yl]sulfanyl]propan-1-ol
CID 66102789
2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 64612132
N-methyl-2-(oxetan-3-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 79333595
N-methyl-2-(2-nitrophenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64612170
(1R,2R)-1-N,2-N,2-N-trimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 14327151
3-[[1-(propylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol
CID 66128150
N,2-dimethyl-2,3-dihydro-1H-inden-1-amine;ethane
CID 142067268
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol (CID 66102793) is 2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol is CNC1c2ccccc2CC1SCC(C)CO.
What is the InChIKey of 2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol?
The InChIKey is LCAHLWLAYZRDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10(8-16)9-17-13-7-11-5-3-4-6-12(11)14(13)15-2/h3-6,10,13-16H,7-9H2,1-2H3.
What are the key properties of 2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol?
2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol has a molecular weight of 251.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]propan-1-ol is sourced from PubChem (CID 66102793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).