3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol

C14H21NOS — CID 64807073

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol
SMILESCNC(C)(CO)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NOS/c1-14(9-16,15-2)10-17-13-7-6-11-4-3-5-12(11)8-13/h6-8,15-16H,3-5,9-10H2,1-2H3
InChIKeyASKPWPSILAGTJI-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.24
Rot. Bonds5

About 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol

3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol (PubChem CID 64807073) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol
PubChem CID64807073
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol
SMILESCNC(C)(CO)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NOS/c1-14(9-16,15-2)10-17-13-7-6-11-4-3-5-12(11)8-13/h6-8,15-16H,3-5,9-10H2,1-2H3
InChIKeyASKPWPSILAGTJI-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol
CID 115480492
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylbutan-1-ol
CID 64807072
5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106810962
2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propanoic acid
CID 63918452
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol
CID 64807080
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933570
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
3-(3,4-dimethylphenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64805573
1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
CID 64648658
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide
CID 60652446
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(propylamino)butanoic acid
CID 63465674

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol (CID 64807073) is 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol is CNC(C)(CO)CSc1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol?
The InChIKey is ASKPWPSILAGTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-14(9-16,15-2)10-17-13-7-6-11-4-3-5-12(11)8-13/h6-8,15-16H,3-5,9-10H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol?
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol has a molecular weight of 251.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64807073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).