2-methyl-4-propylsulfonyl-1,2,4a,8a-tetrahydronaphthalene

C14H20O2S — CID 134449171

IUPAC2-methyl-4-propylsulfonyl-1,2,4a,8a-tetrahydronaphthalene
SMILESCCCS(=O)(=O)C1=CC(C)CC2C=CC=CC12
InChIInChI=1S/C14H20O2S/c1-3-8-17(15,16)14-10-11(2)9-12-6-4-5-7-13(12)14/h4-7,10-13H,3,8-9H2,1-2H3
InChIKeyHPVGJCCNWCPKMC-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.09
Rot. Bonds3

About 2-methyl-4-propylsulfonyl-1,2,4a,8a-tetrahydronaphthalene

2-methyl-4-propylsulfonyl-1,2,4a,8a-tetrahydronaphthalene (PubChem CID 134449171) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-methyl-4-propylsulfonyl-1,2,4a,8a-tetrahydronaphthalene.

Molecular Properties

Compound Name2-methyl-4-propylsulfonyl-1,2,4a,8a-tetrahydronaphthalene
PubChem CID134449171
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name2-methyl-4-propylsulfonyl-1,2,4a,8a-tetrahydronaphthalene
SMILESCCCS(=O)(=O)C1=CC(C)CC2C=CC=CC12
InChIInChI=1S/C14H20O2S/c1-3-8-17(15,16)14-10-11(2)9-12-6-4-5-7-13(12)14/h4-7,10-13H,3,8-9H2,1-2H3
InChIKeyHPVGJCCNWCPKMC-UHFFFAOYSA-N
XLogP3.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propylsulfonyl-1,2,4a,8a-tetrahydronaphthalene?
The IUPAC name of 2-methyl-4-propylsulfonyl-1,2,4a,8a-tetrahydronaphthalene (CID 134449171) is 2-methyl-4-propylsulfonyl-1,2,4a,8a-tetrahydronaphthalene.
What is the SMILES notation for 2-methyl-4-propylsulfonyl-1,2,4a,8a-tetrahydronaphthalene?
The canonical SMILES for 2-methyl-4-propylsulfonyl-1,2,4a,8a-tetrahydronaphthalene is CCCS(=O)(=O)C1=CC(C)CC2C=CC=CC12.
What is the InChIKey of 2-methyl-4-propylsulfonyl-1,2,4a,8a-tetrahydronaphthalene?
The InChIKey is HPVGJCCNWCPKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-3-8-17(15,16)14-10-11(2)9-12-6-4-5-7-13(12)14/h4-7,10-13H,3,8-9H2,1-2H3.
What are the key properties of 2-methyl-4-propylsulfonyl-1,2,4a,8a-tetrahydronaphthalene?
2-methyl-4-propylsulfonyl-1,2,4a,8a-tetrahydronaphthalene has a molecular weight of 252.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propylsulfonyl-1,2,4a,8a-tetrahydronaphthalene is sourced from PubChem (CID 134449171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).