(2-methyl-1,3-dioxolan-2-yl)sulfamic acid

C4H9NO5S — CID 70427971

IUPAC(2-methyl-1,3-dioxolan-2-yl)sulfamic acid
SMILESCC1(NS(=O)(=O)O)OCCO1
InChIInChI=1S/C4H9NO5S/c1-4(5-11(6,7)8)9-2-3-10-4/h5H,2-3H2,1H3,(H,6,7,8)
InChIKeyABVVIVWYNFOFAN-UHFFFAOYSA-N
MW183.18 g/mol
LogP-0.90
Rot. Bonds2

About (2-methyl-1,3-dioxolan-2-yl)sulfamic acid

(2-methyl-1,3-dioxolan-2-yl)sulfamic acid (PubChem CID 70427971) has the molecular formula C4H9NO5S and a molecular weight of 183.18 g/mol. Its IUPAC name is (2-methyl-1,3-dioxolan-2-yl)sulfamic acid.

Molecular Properties

Compound Name(2-methyl-1,3-dioxolan-2-yl)sulfamic acid
PubChem CID70427971
Molecular FormulaC4H9NO5S
Molecular Weight183.18 g/mol
Exact Mass183.02
IUPAC Name(2-methyl-1,3-dioxolan-2-yl)sulfamic acid
SMILESCC1(NS(=O)(=O)O)OCCO1
InChIInChI=1S/C4H9NO5S/c1-4(5-11(6,7)8)9-2-3-10-4/h5H,2-3H2,1H3,(H,6,7,8)
InChIKeyABVVIVWYNFOFAN-UHFFFAOYSA-N
XLogP-0.90
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 5-0.90
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-methylcyclohexyl)sulfamic acid
CID 102317310
methanesulfonic acid;yttrium;hydrofluoride
CID 174922283
hafnium;methanesulfonic acid;hydrofluoride
CID 174915854
alumane;methanesulfonic acid;hydrofluoride
CID 174812209
2,2-dichloro-1-(2-methyl-1,3-dioxolan-2-yl)ethanone
CID 21471052
methanesulfonic acid;oxane
CID 160985149
2,2-dimethyl-1,3-dioxolane;formic acid
CID 142542540
4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine
CID 11137610
methanesulfonic acid;methylsulfanylmethane
CID 174896398
CID 87129852
CID 87129852
methanesulfonic acid;hydrate
CID 87278985
hydron;methanesulfonic acid
CID 19767432

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-dioxolan-2-yl)sulfamic acid?
The IUPAC name of (2-methyl-1,3-dioxolan-2-yl)sulfamic acid (CID 70427971) is (2-methyl-1,3-dioxolan-2-yl)sulfamic acid.
What is the SMILES notation for (2-methyl-1,3-dioxolan-2-yl)sulfamic acid?
The canonical SMILES for (2-methyl-1,3-dioxolan-2-yl)sulfamic acid is CC1(NS(=O)(=O)O)OCCO1.
What is the InChIKey of (2-methyl-1,3-dioxolan-2-yl)sulfamic acid?
The InChIKey is ABVVIVWYNFOFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO5S/c1-4(5-11(6,7)8)9-2-3-10-4/h5H,2-3H2,1H3,(H,6,7,8).
What are the key properties of (2-methyl-1,3-dioxolan-2-yl)sulfamic acid?
(2-methyl-1,3-dioxolan-2-yl)sulfamic acid has a molecular weight of 183.18 g/mol, XLogP of -0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dioxolan-2-yl)sulfamic acid is sourced from PubChem (CID 70427971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).