4-butyl-1,4-thiazinane 1,1-dioxide

C8H17NO2S — CID 10987084

IUPAC4-butyl-1,4-thiazinane 1,1-dioxide
SMILESCCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO2S/c1-2-3-4-9-5-7-12(10,11)8-6-9/h2-8H2,1H3
InChIKeySFQXIOBQKHQESY-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.52
Rot. Bonds3

About 4-butyl-1,4-thiazinane 1,1-dioxide

4-butyl-1,4-thiazinane 1,1-dioxide (PubChem CID 10987084) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-butyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-butyl-1,4-thiazinane 1,1-dioxide
PubChem CID10987084
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name4-butyl-1,4-thiazinane 1,1-dioxide
SMILESCCCCN1CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO2S/c1-2-3-4-9-5-7-12(10,11)8-6-9/h2-8H2,1H3
InChIKeySFQXIOBQKHQESY-UHFFFAOYSA-N
XLogP0.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-butyl-1,4-thiazinane 1,1-dioxide (CID 10987084) is 4-butyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-butyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-butyl-1,4-thiazinane 1,1-dioxide is CCCCN1CCS(=O)(=O)CC1.
What is the InChIKey of 4-butyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is SFQXIOBQKHQESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-2-3-4-9-5-7-12(10,11)8-6-9/h2-8H2,1H3.
What are the key properties of 4-butyl-1,4-thiazinane 1,1-dioxide?
4-butyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 191.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 10987084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).