CID 59124402

C6H12O3S — CID 59124402

IUPAC—
SMILES[CH]S(=O)(=O)CC(C)COC
InChIInChI=1S/C6H12O3S/c1-6(4-9-2)5-10(3,7)8/h3,6H,4-5H2,1-2H3
InChIKeyNBBMOLFWDKZLJD-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.35
Rot. Bonds4

About CID 59124402

CID 59124402 (PubChem CID 59124402) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol.

Molecular Properties

Compound NameCID 59124402
PubChem CID59124402
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name—
SMILES[CH]S(=O)(=O)CC(C)COC
InChIInChI=1S/C6H12O3S/c1-6(4-9-2)5-10(3,7)8/h3,6H,4-5H2,1-2H3
InChIKeyNBBMOLFWDKZLJD-UHFFFAOYSA-N
XLogP0.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride
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2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid
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3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride
CID 104567582
1-fluoro-4-[(3-methoxy-2-methylpropyl)sulfonylmethyl]benzene
CID 167792527
1-(3-methoxy-2-methylpropyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068683
3-methoxy-2-methylpropane-1-thiol
CID 21429472
methane;1-methoxy-2-methylbutane
CID 159281556
3-[3-(2-methoxyethoxy)propoxy]-2-methylpropane-1-sulfonamide
CID 103407365
(2S,3S)-1-(3-methoxy-2-methylpropyl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122104935
1-methoxy-2-methyldecane
CID 13444249
ethane;1-methoxy-2-methylbutane;propane
CID 143686071

Frequently Asked Questions

What is the IUPAC name of CID 59124402?
The IUPAC name of CID 59124402 (CID 59124402) is not available.
What is the SMILES notation for CID 59124402?
The canonical SMILES for CID 59124402 is [CH]S(=O)(=O)CC(C)COC.
What is the InChIKey of CID 59124402?
The InChIKey is NBBMOLFWDKZLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-6(4-9-2)5-10(3,7)8/h3,6H,4-5H2,1-2H3.
What are the key properties of CID 59124402?
CID 59124402 has a molecular weight of 164.23 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59124402 is sourced from PubChem (CID 59124402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).