(R)-1-adamantyl(hydroxy)methanesulfonate

C11H17O4S- — CID 8741597

IUPAC(R)-1-adamantyl(hydroxy)methanesulfonate
SMILESO=S(=O)([O-])[C@@H](O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18O4S/c12-10(16(13,14)15)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-10,12H,1-6H2,(H,13,14,15)/p-1/t7?,8?,9?,10-,11?/m1/s1
InChIKeyJNJCHNDSTMRCLP-IYGUQASQSA-M
MW245.32 g/mol
LogP1.07
Rot. Bonds2

About (R)-1-adamantyl(hydroxy)methanesulfonate

(R)-1-adamantyl(hydroxy)methanesulfonate (PubChem CID 8741597) has the molecular formula C11H17O4S- and a molecular weight of 245.32 g/mol. Its IUPAC name is (R)-1-adamantyl(hydroxy)methanesulfonate.

Molecular Properties

Compound Name(R)-1-adamantyl(hydroxy)methanesulfonate
PubChem CID8741597
Molecular FormulaC11H17O4S-
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC Name(R)-1-adamantyl(hydroxy)methanesulfonate
SMILESO=S(=O)([O-])[C@@H](O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18O4S/c12-10(16(13,14)15)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-10,12H,1-6H2,(H,13,14,15)/p-1/t7?,8?,9?,10-,11?/m1/s1
InChIKeyJNJCHNDSTMRCLP-IYGUQASQSA-M
XLogP1.07
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium 1-adamantyl(hydroxy)methanesulfonate
CID 5130761
2-(1-adamantylsulfonyl)ethanesulfonate
CID 156663629
[(1S,2S)-1-(1-adamantyl)-1-hydroxypropan-2-yl]-methylazanium
CID 7154824
(R)-1-adamantyl(methoxy)methanol
CID 124639055
(1R)-1-(1-adamantyl)-2-bromoethanol
CID 10106600
2-(1-adamantyl)propanedioic acid;methane
CID 158035094
1-(1-adamantyl)-2-bromoethanol
CID 3556633
1-[(1R)-1-chloroethyl]adamantane
CID 94672919
2-(1-adamantyl)-2-bromoacetic acid
CID 2769715
bis(1-adamantyl(trimethyl)azanium);sulfate
CID 67016445
methyl 2-(1-adamantyl)-2-hydroxyacetate
CID 24795488
3-(1-adamantyl)-3-oxopropane-1-sulfonate
CID 156663669

Frequently Asked Questions

What is the IUPAC name of (R)-1-adamantyl(hydroxy)methanesulfonate?
The IUPAC name of (R)-1-adamantyl(hydroxy)methanesulfonate (CID 8741597) is (R)-1-adamantyl(hydroxy)methanesulfonate.
What is the SMILES notation for (R)-1-adamantyl(hydroxy)methanesulfonate?
The canonical SMILES for (R)-1-adamantyl(hydroxy)methanesulfonate is O=S(=O)([O-])[C@@H](O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (R)-1-adamantyl(hydroxy)methanesulfonate?
The InChIKey is JNJCHNDSTMRCLP-IYGUQASQSA-M. The full InChI is InChI=1S/C11H18O4S/c12-10(16(13,14)15)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-10,12H,1-6H2,(H,13,14,15)/p-1/t7?,8?,9?,10-,11?/m1/s1.
What are the key properties of (R)-1-adamantyl(hydroxy)methanesulfonate?
(R)-1-adamantyl(hydroxy)methanesulfonate has a molecular weight of 245.32 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-1-adamantyl(hydroxy)methanesulfonate is sourced from PubChem (CID 8741597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).