2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol

C14H21NOS — CID 113306152

IUPAC2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol
SMILESCNC1c2ccccc2C(C)CC1SCCO
InChIInChI=1S/C14H21NOS/c1-10-9-13(17-8-7-16)14(15-2)12-6-4-3-5-11(10)12/h3-6,10,13-16H,7-9H2,1-2H3
InChIKeyIGXTWVJTEXJNDU-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.55
Rot. Bonds4

About 2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol

2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol (PubChem CID 113306152) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol
PubChem CID113306152
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol
SMILESCNC1c2ccccc2C(C)CC1SCCO
InChIInChI=1S/C14H21NOS/c1-10-9-13(17-8-7-16)14(15-2)12-6-4-3-5-11(10)12/h3-6,10,13-16H,7-9H2,1-2H3
InChIKeyIGXTWVJTEXJNDU-UHFFFAOYSA-N
XLogP2.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-Fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-methylsulfanylbutan-1-ol
CID 109970621
3-[(6-Fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylsulfanylbutan-1-ol
CID 109970653
3-[2-[(5-Fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethylsulfanyl]propan-1-ol
CID 112319565
3-[(5-Fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylsulfanylbutan-1-ol
CID 112326310
2-(2-hydroxyethylsulfanyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8306295
2-(2-hydroxyethylsulfanyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8306297
3-(3,4-dihydro-1H-isothiochromen-4-ylamino)propan-1-ol
CID 43770640
2-(3,4-dihydro-1H-isothiochromen-4-ylamino)propan-1-ol
CID 43776436
N-(2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63981089
4,4-dimethyl-N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 63981858
4,4-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-naphthalen-1-amine
CID 63983185
6,6-Dimethyl-1,2,3,4a,5,10b-hexahydrobenzo[f][1,4]benzothiazine
CID 64283062

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol?
The IUPAC name of 2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol (CID 113306152) is 2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol?
The canonical SMILES for 2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol is CNC1c2ccccc2C(C)CC1SCCO.
What is the InChIKey of 2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol?
The InChIKey is IGXTWVJTEXJNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10-9-13(17-8-7-16)14(15-2)12-6-4-3-5-11(10)12/h3-6,10,13-16H,7-9H2,1-2H3.
What are the key properties of 2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol?
2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol has a molecular weight of 251.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol is sourced from PubChem (CID 113306152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).