4-(3-ethoxypropyl)-1,4-thiazinane 1,1-dioxide

C9H19NO3S — CID 138463207

IUPAC4-(3-ethoxypropyl)-1,4-thiazinane 1,1-dioxide
SMILESCCOCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO3S/c1-2-13-7-3-4-10-5-8-14(11,12)9-6-10/h2-9H2,1H3
InChIKeyOGFZTSIPVKGOJJ-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.14
Rot. Bonds5

About 4-(3-ethoxypropyl)-1,4-thiazinane 1,1-dioxide

4-(3-ethoxypropyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 138463207) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-(3-ethoxypropyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-ethoxypropyl)-1,4-thiazinane 1,1-dioxide
PubChem CID138463207
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name4-(3-ethoxypropyl)-1,4-thiazinane 1,1-dioxide
SMILESCCOCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C9H19NO3S/c1-2-13-7-3-4-10-5-8-14(11,12)9-6-10/h2-9H2,1H3
InChIKeyOGFZTSIPVKGOJJ-UHFFFAOYSA-N
XLogP0.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3-ethoxypropyl)-1,4-thiazinane 1,1-dioxide (CID 138463207) is 4-(3-ethoxypropyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3-ethoxypropyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3-ethoxypropyl)-1,4-thiazinane 1,1-dioxide is CCOCCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(3-ethoxypropyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is OGFZTSIPVKGOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-13-7-3-4-10-5-8-14(11,12)9-6-10/h2-9H2,1H3.
What are the key properties of 4-(3-ethoxypropyl)-1,4-thiazinane 1,1-dioxide?
4-(3-ethoxypropyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 221.32 g/mol, XLogP of 0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 138463207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).