3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide

C15H30N2O2S — CID 80521219

IUPAC3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCCCC1CCCN(CCC2CS(=O)(=O)CCN2)CC1
InChIInChI=1S/C15H30N2O2S/c1-2-4-14-5-3-9-17(10-6-14)11-7-15-13-20(18,19)12-8-16-15/h14-16H,2-13H2,1H3
InChIKeyMPIWUYLZKYAZTI-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.67
Rot. Bonds5

About 3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide

3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 80521219) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
PubChem CID80521219
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide
SMILESCCCC1CCCN(CCC2CS(=O)(=O)CCN2)CC1
InChIInChI=1S/C15H30N2O2S/c1-2-4-14-5-3-9-17(10-6-14)11-7-15-13-20(18,19)12-8-16-15/h14-16H,2-13H2,1H3
InChIKeyMPIWUYLZKYAZTI-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide (CID 80521219) is 3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide is CCCC1CCCN(CCC2CS(=O)(=O)CCN2)CC1.
What is the InChIKey of 3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is MPIWUYLZKYAZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-2-4-14-5-3-9-17(10-6-14)11-7-15-13-20(18,19)12-8-16-15/h14-16H,2-13H2,1H3.
What are the key properties of 3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide?
3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 302.48 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-propylazepan-1-yl)ethyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 80521219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).