N-(2-methoxyethyl)oxazinane-2-sulfonamide

C7H16N2O4S — CID 114814926

IUPACN-(2-methoxyethyl)oxazinane-2-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCCCO1
InChIInChI=1S/C7H16N2O4S/c1-12-7-4-8-14(10,11)9-5-2-3-6-13-9/h8H,2-7H2,1H3
InChIKeyUTESFTUAIPOOCV-UHFFFAOYSA-N
MW224.28 g/mol
LogP-0.51
Rot. Bonds5

About N-(2-methoxyethyl)oxazinane-2-sulfonamide

N-(2-methoxyethyl)oxazinane-2-sulfonamide (PubChem CID 114814926) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)oxazinane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)oxazinane-2-sulfonamide
PubChem CID114814926
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC NameN-(2-methoxyethyl)oxazinane-2-sulfonamide
SMILESCOCCNS(=O)(=O)N1CCCCO1
InChIInChI=1S/C7H16N2O4S/c1-12-7-4-8-14(10,11)9-5-2-3-6-13-9/h8H,2-7H2,1H3
InChIKeyUTESFTUAIPOOCV-UHFFFAOYSA-N
XLogP-0.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyloxazinane-2-sulfonamide
CID 114807237
N-propan-2-yloxazinane-2-sulfonamide
CID 114807238
N-methyloxazinane-2-sulfonamide
CID 114807239
N-propyloxazinane-2-sulfonamide
CID 114807242

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)oxazinane-2-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)oxazinane-2-sulfonamide (CID 114814926) is N-(2-methoxyethyl)oxazinane-2-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)oxazinane-2-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)oxazinane-2-sulfonamide is COCCNS(=O)(=O)N1CCCCO1.
What is the InChIKey of N-(2-methoxyethyl)oxazinane-2-sulfonamide?
The InChIKey is UTESFTUAIPOOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-12-7-4-8-14(10,11)9-5-2-3-6-13-9/h8H,2-7H2,1H3.
What are the key properties of N-(2-methoxyethyl)oxazinane-2-sulfonamide?
N-(2-methoxyethyl)oxazinane-2-sulfonamide has a molecular weight of 224.28 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)oxazinane-2-sulfonamide is sourced from PubChem (CID 114814926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).