(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride

C10H17ClO2S — CID 55279558

IUPAC(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)[C@@H]1CCC2CCCCC2C1
InChIInChI=1S/C10H17ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7H2/t8?,9?,10-/m1/s1
InChIKeyAFKIBSLYCRGOMI-UDNWOFFPSA-N
MW236.76 g/mol
LogP2.91
Rot. Bonds1

About (2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride

(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride (PubChem CID 55279558) has the molecular formula C10H17ClO2S and a molecular weight of 236.76 g/mol. Its IUPAC name is (2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride.

Molecular Properties

Compound Name(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride
PubChem CID55279558
Molecular FormulaC10H17ClO2S
Molecular Weight236.76 g/mol
Exact Mass236.06
IUPAC Name(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)[C@@H]1CCC2CCCCC2C1
InChIInChI=1S/C10H17ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7H2/t8?,9?,10-/m1/s1
InChIKeyAFKIBSLYCRGOMI-UDNWOFFPSA-N
XLogP2.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.76
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride 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

bicyclo[3.1.0]hexane-3-sulfonyl chloride
CID 131288995
[(2S,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium
CID 11882265
CID 162402049
CID 162402049
[(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]azanium
CID 7131512
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
CID 123828031
4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023
bicyclo[4.2.0]octane;oxophosphane
CID 174463373
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
cyclohexylcyclohexane;sulfuric acid
CID 67093853
tricyclo[11.9.0.05,8]docosane
CID 123241919
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride?
The IUPAC name of (2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride (CID 55279558) is (2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride.
What is the SMILES notation for (2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride?
The canonical SMILES for (2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride is O=S(=O)(Cl)[C@@H]1CCC2CCCCC2C1.
What is the InChIKey of (2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride?
The InChIKey is AFKIBSLYCRGOMI-UDNWOFFPSA-N. The full InChI is InChI=1S/C10H17ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7H2/t8?,9?,10-/m1/s1.
What are the key properties of (2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride?
(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride has a molecular weight of 236.76 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride is sourced from PubChem (CID 55279558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).