2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol

C14H20O3S — CID 116855244

IUPAC2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol
SMILESCC(C)(CO)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H20O3S/c1-14(2,10-15)18(16,17)13-8-7-11-5-3-4-6-12(11)9-13/h7-9,15H,3-6,10H2,1-2H3
InChIKeyGEZQRCNOPLTKSR-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.11
Rot. Bonds3

About 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol

2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol (PubChem CID 116855244) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol
PubChem CID116855244
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol
SMILESCC(C)(CO)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H20O3S/c1-14(2,10-15)18(16,17)13-8-7-11-5-3-4-6-12(11)9-13/h7-9,15H,3-6,10H2,1-2H3
InChIKeyGEZQRCNOPLTKSR-UHFFFAOYSA-N
XLogP2.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylpropan-1-ol
CID 116853101
5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one
CID 116855261
2-(4-ethylphenyl)sulfonyl-2-methylpropan-1-ol
CID 116855241
N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 62520343
6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene
CID 158665045
N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26948836
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
5,6,7,8-tetrahydronaphthalene-2-sulfonyl fluoride
CID 82284501
6-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalene
CID 117031949
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119991436
N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 43574607
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103833742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol?
The IUPAC name of 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol (CID 116855244) is 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol is CC(C)(CO)S(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol?
The InChIKey is GEZQRCNOPLTKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-14(2,10-15)18(16,17)13-8-7-11-5-3-4-6-12(11)9-13/h7-9,15H,3-6,10H2,1-2H3.
What are the key properties of 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol?
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol has a molecular weight of 268.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol is sourced from PubChem (CID 116855244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).