2-methyl-2-[[methyl(sulfinato)amino]methyl]oxolane

C7H14NO3S- — CID 57003682

IUPAC2-methyl-2-[[methyl(sulfinato)amino]methyl]oxolane
SMILESCN(CC1(C)CCCO1)S(=O)[O-]
InChIInChI=1S/C7H15NO3S/c1-7(4-3-5-11-7)6-8(2)12(9)10/h3-6H2,1-2H3,(H,9,10)/p-1
InChIKeyVFVPZYJKYNTMDT-UHFFFAOYSA-M
MW192.26 g/mol
LogP0.28
Rot. Bonds3

About 2-methyl-2-[[methyl(sulfinato)amino]methyl]oxolane

2-methyl-2-[[methyl(sulfinato)amino]methyl]oxolane (PubChem CID 57003682) has the molecular formula C7H14NO3S- and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(sulfinato)amino]methyl]oxolane.

Molecular Properties

Compound Name2-methyl-2-[[methyl(sulfinato)amino]methyl]oxolane
PubChem CID57003682
Molecular FormulaC7H14NO3S-
Molecular Weight192.26 g/mol
Exact Mass192.07
IUPAC Name2-methyl-2-[[methyl(sulfinato)amino]methyl]oxolane
SMILESCN(CC1(C)CCCO1)S(=O)[O-]
InChIInChI=1S/C7H15NO3S/c1-7(4-3-5-11-7)6-8(2)12(9)10/h3-6H2,1-2H3,(H,9,10)/p-1
InChIKeyVFVPZYJKYNTMDT-UHFFFAOYSA-M
XLogP0.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(sulfinato)amino]methyl]oxolane?
The IUPAC name of 2-methyl-2-[[methyl(sulfinato)amino]methyl]oxolane (CID 57003682) is 2-methyl-2-[[methyl(sulfinato)amino]methyl]oxolane.
What is the SMILES notation for 2-methyl-2-[[methyl(sulfinato)amino]methyl]oxolane?
The canonical SMILES for 2-methyl-2-[[methyl(sulfinato)amino]methyl]oxolane is CN(CC1(C)CCCO1)S(=O)[O-].
What is the InChIKey of 2-methyl-2-[[methyl(sulfinato)amino]methyl]oxolane?
The InChIKey is VFVPZYJKYNTMDT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15NO3S/c1-7(4-3-5-11-7)6-8(2)12(9)10/h3-6H2,1-2H3,(H,9,10)/p-1.
What are the key properties of 2-methyl-2-[[methyl(sulfinato)amino]methyl]oxolane?
2-methyl-2-[[methyl(sulfinato)amino]methyl]oxolane has a molecular weight of 192.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(sulfinato)amino]methyl]oxolane is sourced from PubChem (CID 57003682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).