6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene

C13H18O2S — CID 117031949

IUPAC6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H18O2S/c1-10(2)16(14,15)13-8-7-11-5-3-4-6-12(11)9-13/h7-10H,3-6H2,1-2H3
InChIKeyLCBRCZRQNYHQRL-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.75
Rot. Bonds2

About 6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene

6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 117031949) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene
PubChem CID117031949
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C13H18O2S/c1-10(2)16(14,15)13-8-7-11-5-3-4-6-12(11)9-13/h7-10H,3-6H2,1-2H3
InChIKeyLCBRCZRQNYHQRL-UHFFFAOYSA-N
XLogP2.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6,7,8-tetrahydronaphthalene-2-sulfonyl fluoride
CID 82284501
6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene
CID 57430782
tert-butyl 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 66337757
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid
CID 79009391
N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 43574607
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
N-[(1R)-1-(3-methylpyrazin-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 138046849
N-(1-hydroxy-3-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 79255969
N-(1-methoxypropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51170060
6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene
CID 158665045
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid
CID 62676412

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene (CID 117031949) is 6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene is CC(C)S(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is LCBRCZRQNYHQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-10(2)16(14,15)13-8-7-11-5-3-4-6-12(11)9-13/h7-10H,3-6H2,1-2H3.
What are the key properties of 6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene?
6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 238.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 117031949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).