3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol

C16H25NOS — CID 66136675

IUPAC3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol
SMILESCCNC1c2ccccc2CCC1SC(C)CCO
InChIInChI=1S/C16H25NOS/c1-3-17-16-14-7-5-4-6-13(14)8-9-15(16)19-12(2)10-11-18/h4-7,12,15-18H,3,8-11H2,1-2H3
InChIKeyBOXPQBZQZHCLKP-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.16
Rot. Bonds6

About 3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol

3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol (PubChem CID 66136675) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol
PubChem CID66136675
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol
SMILESCCNC1c2ccccc2CCC1SC(C)CCO
InChIInChI=1S/C16H25NOS/c1-3-17-16-14-7-5-4-6-13(14)8-9-15(16)19-12(2)10-11-18/h4-7,12,15-18H,3,8-11H2,1-2H3
InChIKeyBOXPQBZQZHCLKP-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol with MolForge

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Related Compounds

N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
3-[[5-(ethylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]sulfanyl]propan-1-ol
CID 66128577
3-[(1-amino-2,3-dihydro-1H-inden-2-yl)sulfanyl]butan-1-ol
CID 66135764
N-ethyl-2-ethylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646782
N-ethyl-2-methylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656023
N-ethyl-6-(2-methylpentyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63403421
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106927305
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64628649
N-ethyl-6-methoxy-2-(3-methylbutan-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107763324
(1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 154807752
5-N-ethyl-6-N-methyl-6-N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63469910
1-(2-hydroxyethylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 13110177

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol?
The IUPAC name of 3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol (CID 66136675) is 3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol.
What is the SMILES notation for 3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol?
The canonical SMILES for 3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol is CCNC1c2ccccc2CCC1SC(C)CCO.
What is the InChIKey of 3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol?
The InChIKey is BOXPQBZQZHCLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-17-16-14-7-5-4-6-13(14)8-9-15(16)19-12(2)10-11-18/h4-7,12,15-18H,3,8-11H2,1-2H3.
What are the key properties of 3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol?
3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol has a molecular weight of 279.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol is sourced from PubChem (CID 66136675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).