4-[3-(methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide

C9H19NO4S — CID 167053059

IUPAC4-[3-(methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide
SMILESCOCOCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO4S/c1-13-9-14-6-2-3-10-4-7-15(11,12)8-5-10/h2-9H2,1H3
InChIKeyWDEWKUMUAJUNSE-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.27
Rot. Bonds6

About 4-[3-(methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide

4-[3-(methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 167053059) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-[3-(methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[3-(methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide
PubChem CID167053059
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name4-[3-(methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide
SMILESCOCOCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO4S/c1-13-9-14-6-2-3-10-4-7-15(11,12)8-5-10/h2-9H2,1H3
InChIKeyWDEWKUMUAJUNSE-UHFFFAOYSA-N
XLogP-0.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[3-(methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide (CID 167053059) is 4-[3-(methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[3-(methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[3-(methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide is COCOCCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-[3-(methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is WDEWKUMUAJUNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-13-9-14-6-2-3-10-4-7-15(11,12)8-5-10/h2-9H2,1H3.
What are the key properties of 4-[3-(methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide?
4-[3-(methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 237.32 g/mol, XLogP of -0.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethoxy)propyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 167053059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).