methanesulfonic acid;1,3-oxazolidine

C4H11NO4S — CID 159891854

IUPACmethanesulfonic acid;1,3-oxazolidine
SMILESC1COCN1.CS(=O)(=O)O
InChIInChI=1S/C3H7NO.CH4O3S/c1-2-5-3-4-1;1-5(2,3)4/h4H,1-3H2;1H3,(H,2,3,4)
InChIKeyNUVVGTFTCOHDHD-UHFFFAOYSA-N
MW169.20 g/mol
LogP-0.93
Rot. Bonds

About methanesulfonic acid;1,3-oxazolidine

methanesulfonic acid;1,3-oxazolidine (PubChem CID 159891854) has the molecular formula C4H11NO4S and a molecular weight of 169.20 g/mol. Its IUPAC name is methanesulfonic acid;1,3-oxazolidine.

Molecular Properties

Compound Namemethanesulfonic acid;1,3-oxazolidine
PubChem CID159891854
Molecular FormulaC4H11NO4S
Molecular Weight169.20 g/mol
Exact Mass169.04
IUPAC Namemethanesulfonic acid;1,3-oxazolidine
SMILESC1COCN1.CS(=O)(=O)O
InChIInChI=1S/C3H7NO.CH4O3S/c1-2-5-3-4-1;1-5(2,3)4/h4H,1-3H2;1H3,(H,2,3,4)
InChIKeyNUVVGTFTCOHDHD-UHFFFAOYSA-N
XLogP-0.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-Oxazolidine;trifluoromethanesulfonic acid
CID 174792299
Oxazolidinone Mesylate
CID 20145393
N-(1,3-oxazolidin-5-yl)methanesulfonamide
CID 58880468
methanesulfonic acid;2-methoxy-N-(2-methoxyethyl)ethanamine
CID 86076034
N-[(5R)-1,3-oxazolidin-5-yl]methanesulfonamide
CID 89359157
[(5S)-1,3-oxazolidin-5-yl] methanesulfonate
CID 146234371
1,3-Oxazolidine-2-sulfonic acid
CID 150536810
1,3-Oxazolidine-5-sulfonic acid
CID 174967179
1,3-Oxazolidin-4-yl methanesulfonate
CID 175468923
1,3-Oxazolidine-2-sulfinic acid
CID 66657155

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;1,3-oxazolidine?
The IUPAC name of methanesulfonic acid;1,3-oxazolidine (CID 159891854) is methanesulfonic acid;1,3-oxazolidine.
What is the SMILES notation for methanesulfonic acid;1,3-oxazolidine?
The canonical SMILES for methanesulfonic acid;1,3-oxazolidine is C1COCN1.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;1,3-oxazolidine?
The InChIKey is NUVVGTFTCOHDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.CH4O3S/c1-2-5-3-4-1;1-5(2,3)4/h4H,1-3H2;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;1,3-oxazolidine?
methanesulfonic acid;1,3-oxazolidine has a molecular weight of 169.20 g/mol, XLogP of -0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;1,3-oxazolidine is sourced from PubChem (CID 159891854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).