[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate

C11H14O3S — CID 124600614

IUPAC[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@H]1CCc2ccccc2C1
InChIInChI=1S/C11H14O3S/c1-15(12,13)14-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,11H,6-8H2,1H3/t11-/m0/s1
InChIKeyGCHSTPNWXULIPY-NSHDSACASA-N
MW226.30 g/mol
LogP1.52
Rot. Bonds2

About [(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate

[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate (PubChem CID 124600614) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is [(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate.

Molecular Properties

Compound Name[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate
PubChem CID124600614
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate
SMILESCS(=O)(=O)O[C@H]1CCc2ccccc2C1
InChIInChI=1S/C11H14O3S/c1-15(12,13)14-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,11H,6-8H2,1H3/t11-/m0/s1
InChIKeyGCHSTPNWXULIPY-NSHDSACASA-N
XLogP1.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl) methanesulfonate
CID 19699385
1,2,3,4-tetrahydronaphthalen-2-yl formate
CID 88796970
(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl) methanesulfonate
CID 88682466
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium
CID 40572503
2,3,4,5-tetrahydro-1-benzoxepin-2-yl methanesulfonate
CID 139878584
trimethyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yloxy)silane
CID 589002
(5,6-diethyl-2,3-dihydro-1H-inden-2-yl) methanesulfonate
CID 122431019
[4-(3-oxo-1H-isoindol-2-yl)cyclohexyl] methanesulfonate
CID 10518947
(1-benzoyl-6-methylpiperidin-3-yl) methanesulfonate
CID 144697951
[(1S)-4-(4-methylphenyl)cyclohex-3-en-1-yl] methanesulfonate
CID 125489720
(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate
CID 102621487
1,2,3,4-tetrahydronaphthalen-2-yl 2-(methoxymethyl)benzoate
CID 86890632

Frequently Asked Questions

What is the IUPAC name of [(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate?
The IUPAC name of [(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate (CID 124600614) is [(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate.
What is the SMILES notation for [(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate?
The canonical SMILES for [(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate is CS(=O)(=O)O[C@H]1CCc2ccccc2C1.
What is the InChIKey of [(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate?
The InChIKey is GCHSTPNWXULIPY-NSHDSACASA-N. The full InChI is InChI=1S/C11H14O3S/c1-15(12,13)14-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,11H,6-8H2,1H3/t11-/m0/s1.
What are the key properties of [(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate?
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate has a molecular weight of 226.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,2,3,4-tetrahydronaphthalen-2-yl] methanesulfonate is sourced from PubChem (CID 124600614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).