(3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide

C9H18FNO2S — CID 129348666

IUPAC(3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESC[C@@H](F)CCN1CCS(=O)(=O)C[C@@H]1C
InChIInChI=1S/C9H18FNO2S/c1-8(10)3-4-11-5-6-14(12,13)7-9(11)2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyKYQPOAOMLRJLAH-BDAKNGLRSA-N
MW223.31 g/mol
LogP0.85
Rot. Bonds3

About (3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide

(3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 129348666) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is (3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID129348666
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name(3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESC[C@@H](F)CCN1CCS(=O)(=O)C[C@@H]1C
InChIInChI=1S/C9H18FNO2S/c1-8(10)3-4-11-5-6-14(12,13)7-9(11)2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyKYQPOAOMLRJLAH-BDAKNGLRSA-N
XLogP0.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of (3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide (CID 129348666) is (3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for (3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for (3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide is C[C@@H](F)CCN1CCS(=O)(=O)C[C@@H]1C.
What is the InChIKey of (3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is KYQPOAOMLRJLAH-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-8(10)3-4-11-5-6-14(12,13)7-9(11)2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
(3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 223.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 129348666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).