4-(3-fluoropropyl)-2-methyl-1,4-thiazinane 1,1-dioxide

C8H16FNO2S — CID 130679287

IUPAC4-(3-fluoropropyl)-2-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CN(CCCF)CCS1(=O)=O
InChIInChI=1S/C8H16FNO2S/c1-8-7-10(4-2-3-9)5-6-13(8,11)12/h8H,2-7H2,1H3
InChIKeyUSTVDEZCUXPEDF-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.46
Rot. Bonds3

About 4-(3-fluoropropyl)-2-methyl-1,4-thiazinane 1,1-dioxide

4-(3-fluoropropyl)-2-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 130679287) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(3-fluoropropyl)-2-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-fluoropropyl)-2-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID130679287
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name4-(3-fluoropropyl)-2-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CN(CCCF)CCS1(=O)=O
InChIInChI=1S/C8H16FNO2S/c1-8-7-10(4-2-3-9)5-6-13(8,11)12/h8H,2-7H2,1H3
InChIKeyUSTVDEZCUXPEDF-UHFFFAOYSA-N
XLogP0.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)-2-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3-fluoropropyl)-2-methyl-1,4-thiazinane 1,1-dioxide (CID 130679287) is 4-(3-fluoropropyl)-2-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3-fluoropropyl)-2-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3-fluoropropyl)-2-methyl-1,4-thiazinane 1,1-dioxide is CC1CN(CCCF)CCS1(=O)=O.
What is the InChIKey of 4-(3-fluoropropyl)-2-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is USTVDEZCUXPEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-8-7-10(4-2-3-9)5-6-13(8,11)12/h8H,2-7H2,1H3.
What are the key properties of 4-(3-fluoropropyl)-2-methyl-1,4-thiazinane 1,1-dioxide?
4-(3-fluoropropyl)-2-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 209.29 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)-2-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 130679287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).