[(1S,2R)-2-methylcyclopropyl] methanesulfonate

C5H10O3S — CID 58208879

IUPAC[(1S,2R)-2-methylcyclopropyl] methanesulfonate
SMILESC[C@@H]1C[C@@H]1OS(C)(=O)=O
InChIInChI=1S/C5H10O3S/c1-4-3-5(4)8-9(2,6)7/h4-5H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyHQARCUNNCRJYSD-UHNVWZDZSA-N
MW150.20 g/mol
LogP0.37
Rot. Bonds2

About [(1S,2R)-2-methylcyclopropyl] methanesulfonate

[(1S,2R)-2-methylcyclopropyl] methanesulfonate (PubChem CID 58208879) has the molecular formula C5H10O3S and a molecular weight of 150.20 g/mol. Its IUPAC name is [(1S,2R)-2-methylcyclopropyl] methanesulfonate.

Molecular Properties

Compound Name[(1S,2R)-2-methylcyclopropyl] methanesulfonate
PubChem CID58208879
Molecular FormulaC5H10O3S
Molecular Weight150.20 g/mol
Exact Mass150.04
IUPAC Name[(1S,2R)-2-methylcyclopropyl] methanesulfonate
SMILESC[C@@H]1C[C@@H]1OS(C)(=O)=O
InChIInChI=1S/C5H10O3S/c1-4-3-5(4)8-9(2,6)7/h4-5H,3H2,1-2H3/t4-,5+/m1/s1
InChIKeyHQARCUNNCRJYSD-UHNVWZDZSA-N
XLogP0.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-2-methylsulfonyloxycyclohexyl) methanesulfonate
CID 101451138
[(1R,2S)-2-methylcyclohexyl] methanesulfonate
CID 86685285
methane;(4-methyloxolan-3-yl) methanesulfonate
CID 159316160
[(3S,4S)-4-methyl-1,1-dioxothiolan-3-yl] methanesulfonate
CID 7039170
(4-methyl-1,1-dioxothiolan-3-yl) methanesulfonate
CID 3098774
(4-methylsulfonyloxypyrrolidin-3-yl) methanesulfonate
CID 13329888
[(3R,4R)-4-methylsulfonyloxypyrrolidin-3-yl] methanesulfonate
CID 54191195
2-methyl-4-methylsulfonyloxycyclopentane-1-carboxylic acid
CID 89440119
trans-methyl (3S,4S)-3,4-bis(methylsulfonyloxy)cyclopentane-1-carboxylate
CID 58822152
[(1S,2R,4R,5R,6R,7S,8R,10R)-10-methylsulfonyloxy-5-tetracyclo[5.2.1.02,6.04,8]decanyl] methanesulfonate
CID 125028693
CID 175781698
CID 175781698
(2-hydroxy-4-propan-2-ylcyclopentyl) methanesulfonate
CID 175620233

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-methylcyclopropyl] methanesulfonate?
The IUPAC name of [(1S,2R)-2-methylcyclopropyl] methanesulfonate (CID 58208879) is [(1S,2R)-2-methylcyclopropyl] methanesulfonate.
What is the SMILES notation for [(1S,2R)-2-methylcyclopropyl] methanesulfonate?
The canonical SMILES for [(1S,2R)-2-methylcyclopropyl] methanesulfonate is C[C@@H]1C[C@@H]1OS(C)(=O)=O.
What is the InChIKey of [(1S,2R)-2-methylcyclopropyl] methanesulfonate?
The InChIKey is HQARCUNNCRJYSD-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H10O3S/c1-4-3-5(4)8-9(2,6)7/h4-5H,3H2,1-2H3/t4-,5+/m1/s1.
What are the key properties of [(1S,2R)-2-methylcyclopropyl] methanesulfonate?
[(1S,2R)-2-methylcyclopropyl] methanesulfonate has a molecular weight of 150.20 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-methylcyclopropyl] methanesulfonate is sourced from PubChem (CID 58208879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).