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

C9H18FNOS — CID 130727461

IUPAC4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide
SMILESCC(F)CCN1CCS(=O)CC1C
InChIInChI=1S/C9H18FNOS/c1-8(10)3-4-11-5-6-13(12)7-9(11)2/h8-9H,3-7H2,1-2H3
InChIKeyAISDHJUDGMVFSJ-UHFFFAOYSA-N
MW207.31 g/mol
LogP1.19
Rot. Bonds3

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

4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide (PubChem CID 130727461) has the molecular formula C9H18FNOS and a molecular weight of 207.31 g/mol. Its IUPAC name is 4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide
PubChem CID130727461
Molecular FormulaC9H18FNOS
Molecular Weight207.31 g/mol
Exact Mass207.11
IUPAC Name4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide
SMILESCC(F)CCN1CCS(=O)CC1C
InChIInChI=1S/C9H18FNOS/c1-8(10)3-4-11-5-6-13(12)7-9(11)2/h8-9H,3-7H2,1-2H3
InChIKeyAISDHJUDGMVFSJ-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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Related Compounds

4-Ethylsulfonyl-1-(2-fluoroethyl)piperidine
CID 123535747
4-Methyl-3-(trifluoromethyl)-1,4-thiazinane 1-oxide
CID 145167696
4-(3-Fluorobutyl)-3,3-dimethyl-1,4-thiazinane 1-oxide
CID 126770100
4-(3-Fluorobutyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 126779091
4-(3-Fluoropropyl)-3-methyl-1,4-thiazinane 1-oxide
CID 126995244
4-(3-Fluoropropyl)-2,3-dimethylthiomorpholine
CID 127497755
(1R)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide
CID 129348440
(1S)-4-[(3R)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide
CID 129348441
(1S)-4-[(3S)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide
CID 129348442
(1R)-4-[(3R)-3-fluorobutyl]-3,3-dimethyl-1,4-thiazinane 1-oxide
CID 129348443
(3S)-4-[(3R)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348666
(3R)-4-[(3S)-3-fluorobutyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 129348667

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide (CID 130727461) is 4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide is CC(F)CCN1CCS(=O)CC1C.
What is the InChIKey of 4-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide?
The InChIKey is AISDHJUDGMVFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNOS/c1-8(10)3-4-11-5-6-13(12)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-oxide?
4-(3-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-(3-fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 130727461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).