4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide

C9H18FNO2S — CID 126779091

IUPAC4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC(F)CCN1CCS(=O)(=O)CC1C
InChIInChI=1S/C9H18FNO2S/c1-8(10)3-4-11-5-6-14(12,13)7-9(11)2/h8-9H,3-7H2,1-2H3
InChIKeyKYQPOAOMLRJLAH-UHFFFAOYSA-N
MW223.31 g/mol
LogP0.85
Rot. Bonds3

About 4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide

4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 126779091) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is 4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID126779091
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC(F)CCN1CCS(=O)(=O)CC1C
InChIInChI=1S/C9H18FNO2S/c1-8(10)3-4-11-5-6-14(12,13)7-9(11)2/h8-9H,3-7H2,1-2H3
InChIKeyKYQPOAOMLRJLAH-UHFFFAOYSA-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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Related Compounds

1-(1,1-Dioxidotetrahydro-3-thienyl)piperidine
CID 410105
4-Butylthiomorpholine-1,1-dioxide
CID 10987084
4-(Cyclopropylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71916738
4-Ethylsulfonyl-1-(2-fluoroethyl)piperidine
CID 123535747
4-Methyl-3-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
CID 145167721
4-Propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
CID 166955921
4-[(1S)-3,3-difluorocyclohexyl]sulfonyl-1-propan-2-ylpiperidine
CID 167027086
1,2-Dimethyl-3-propan-2-ylsulfonyl-6-(trifluoromethyl)piperidine
CID 167269182
Piperidine, 1-[2-(ethylsulfonyl)ethyl]-
CID 3104333
2,3,4-Trimethyl-1,4-thiazinane 1,1-dioxide
CID 58520634
4-[(But-2-yn-1-yl)(methyl)amino]-1lambda6-thiane-1,1-dione
CID 91643804
1-(2-Methyl-1,1-dioxido-3-thietanyl)piperidine
CID 300289

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide (CID 126779091) is 4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide is CC(F)CCN1CCS(=O)(=O)CC1C.
What is the InChIKey of 4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is KYQPOAOMLRJLAH-UHFFFAOYSA-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.
What are the key properties of 4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide?
4-(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 4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 126779091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).