1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one

C14H18OS — CID 63772473

IUPAC1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
SMILESCSCC(=O)CC1CCCc2ccccc21
InChIInChI=1S/C14H18OS/c1-16-10-13(15)9-12-7-4-6-11-5-2-3-8-14(11)12/h2-3,5,8,12H,4,6-7,9-10H2,1H3
InChIKeyFQGWILDGZWOKME-UHFFFAOYSA-N
MW234.36 g/mol
LogP3.43
Rot. Bonds4

About 1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one

1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one (PubChem CID 63772473) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one.

Molecular Properties

Compound Name1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
PubChem CID63772473
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
SMILESCSCC(=O)CC1CCCc2ccccc21
InChIInChI=1S/C14H18OS/c1-16-10-13(15)9-12-7-4-6-11-5-2-3-8-14(11)12/h2-3,5,8,12H,4,6-7,9-10H2,1H3
InChIKeyFQGWILDGZWOKME-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116558983
4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 105082812
7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one
CID 116574746
1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116556095
1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid
CID 124702036
1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116659683
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 79197981
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 55242082
2-[1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178470
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 119411829
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
The IUPAC name of 1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one (CID 63772473) is 1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one.
What is the SMILES notation for 1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
The canonical SMILES for 1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one is CSCC(=O)CC1CCCc2ccccc21.
What is the InChIKey of 1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
The InChIKey is FQGWILDGZWOKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-16-10-13(15)9-12-7-4-6-11-5-2-3-8-14(11)12/h2-3,5,8,12H,4,6-7,9-10H2,1H3.
What are the key properties of 1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one?
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one has a molecular weight of 234.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one is sourced from PubChem (CID 63772473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).