6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene

C14H20O2S — CID 158665045

IUPAC6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCCS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H20O2S/c1-2-3-10-17(15,16)14-9-8-12-6-4-5-7-13(12)11-14/h8-9,11H,2-7,10H2,1H3
InChIKeyALEYMMUNDQZYPB-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.14
Rot. Bonds4

About 6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene

6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 158665045) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene
PubChem CID158665045
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCCS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H20O2S/c1-2-3-10-17(15,16)14-9-8-12-6-4-5-7-13(12)11-14/h8-9,11H,2-7,10H2,1H3
InChIKeyALEYMMUNDQZYPB-UHFFFAOYSA-N
XLogP3.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64642185
5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene
CID 62229484
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)hexan-2-one
CID 64641999
5-(3-azidopropylsulfonyl)-2,3-dihydro-1H-indene
CID 61397011
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine
CID 64647032
(2S)-2-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoylamino]hexanoic acid
CID 120614683
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-amine
CID 64647030
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-pentylsulfonylpiperazine
CID 86937206
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-propylpropan-2-amine
CID 64647431
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol
CID 116855244
6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 82044394

Frequently Asked Questions

What is the IUPAC name of 6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene (CID 158665045) is 6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene is CCCCS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ALEYMMUNDQZYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-2-3-10-17(15,16)14-9-8-12-6-4-5-7-13(12)11-14/h8-9,11H,2-7,10H2,1H3.
What are the key properties of 6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene?
6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 252.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 158665045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).