4-(2-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide

C9H18FNOS — CID 130606431

IUPAC4-(2-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide
SMILESCCC(F)CN1CCS(=O)CC1C
InChIInChI=1S/C9H18FNOS/c1-3-9(10)6-11-4-5-13(12)7-8(11)2/h8-9H,3-7H2,1-2H3
InChIKeyGLNUDDXYIPCVTQ-UHFFFAOYSA-N
MW207.31 g/mol
LogP1.19
Rot. Bonds3

About 4-(2-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide

4-(2-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide (PubChem CID 130606431) has the molecular formula C9H18FNOS and a molecular weight of 207.31 g/mol. Its IUPAC name is 4-(2-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(2-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide
PubChem CID130606431
Molecular FormulaC9H18FNOS
Molecular Weight207.31 g/mol
Exact Mass207.11
IUPAC Name4-(2-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide
SMILESCCC(F)CN1CCS(=O)CC1C
InChIInChI=1S/C9H18FNOS/c1-3-9(10)6-11-4-5-13(12)7-8(11)2/h8-9H,3-7H2,1-2H3
InChIKeyGLNUDDXYIPCVTQ-UHFFFAOYSA-N
XLogP1.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(2-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide (CID 130606431) is 4-(2-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(2-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(2-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide is CCC(F)CN1CCS(=O)CC1C.
What is the InChIKey of 4-(2-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide?
The InChIKey is GLNUDDXYIPCVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNOS/c1-3-9(10)6-11-4-5-13(12)7-8(11)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(2-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide?
4-(2-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide has a molecular weight of 207.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 130606431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).