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

C10H20FNOS — CID 126770100

IUPAC4-(3-fluorobutyl)-3,3-dimethyl-1,4-thiazinane 1-oxide
SMILESCC(F)CCN1CCS(=O)CC1(C)C
InChIInChI=1S/C10H20FNOS/c1-9(11)4-5-12-6-7-14(13)8-10(12,2)3/h9H,4-8H2,1-3H3
InChIKeyBHQDSFYMSVFHDP-UHFFFAOYSA-N
MW221.34 g/mol
LogP1.58
Rot. Bonds3

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

4-(3-fluorobutyl)-3,3-dimethyl-1,4-thiazinane 1-oxide (PubChem CID 126770100) has the molecular formula C10H20FNOS and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(3-fluorobutyl)-3,3-dimethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(3-fluorobutyl)-3,3-dimethyl-1,4-thiazinane 1-oxide
PubChem CID126770100
Molecular FormulaC10H20FNOS
Molecular Weight221.34 g/mol
Exact Mass221.12
IUPAC Name4-(3-fluorobutyl)-3,3-dimethyl-1,4-thiazinane 1-oxide
SMILESCC(F)CCN1CCS(=O)CC1(C)C
InChIInChI=1S/C10H20FNOS/c1-9(11)4-5-12-6-7-14(13)8-10(12,2)3/h9H,4-8H2,1-3H3
InChIKeyBHQDSFYMSVFHDP-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobutyl)-3,3-dimethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(3-fluorobutyl)-3,3-dimethyl-1,4-thiazinane 1-oxide (CID 126770100) is 4-(3-fluorobutyl)-3,3-dimethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(3-fluorobutyl)-3,3-dimethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(3-fluorobutyl)-3,3-dimethyl-1,4-thiazinane 1-oxide is CC(F)CCN1CCS(=O)CC1(C)C.
What is the InChIKey of 4-(3-fluorobutyl)-3,3-dimethyl-1,4-thiazinane 1-oxide?
The InChIKey is BHQDSFYMSVFHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNOS/c1-9(11)4-5-12-6-7-14(13)8-10(12,2)3/h9H,4-8H2,1-3H3.
What are the key properties of 4-(3-fluorobutyl)-3,3-dimethyl-1,4-thiazinane 1-oxide?
4-(3-fluorobutyl)-3,3-dimethyl-1,4-thiazinane 1-oxide has a molecular weight of 221.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobutyl)-3,3-dimethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 126770100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).