8-fluoro-8-methyl-6-thia-3-azabicyclo[3.2.1]octane

C7H12FNS — CID 105431709

IUPAC8-fluoro-8-methyl-6-thia-3-azabicyclo[3.2.1]octane
SMILESCC1(F)C2CNCC1SC2
InChIInChI=1S/C7H12FNS/c1-7(8)5-2-9-3-6(7)10-4-5/h5-6,9H,2-4H2,1H3
InChIKeyBSAWSOTYEPPEAY-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.05
Rot. Bonds

About 8-fluoro-8-methyl-6-thia-3-azabicyclo[3.2.1]octane

8-fluoro-8-methyl-6-thia-3-azabicyclo[3.2.1]octane (PubChem CID 105431709) has the molecular formula C7H12FNS and a molecular weight of 161.24 g/mol. Its IUPAC name is 8-fluoro-8-methyl-6-thia-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-fluoro-8-methyl-6-thia-3-azabicyclo[3.2.1]octane
PubChem CID105431709
Molecular FormulaC7H12FNS
Molecular Weight161.24 g/mol
Exact Mass161.07
IUPAC Name8-fluoro-8-methyl-6-thia-3-azabicyclo[3.2.1]octane
SMILESCC1(F)C2CNCC1SC2
InChIInChI=1S/C7H12FNS/c1-7(8)5-2-9-3-6(7)10-4-5/h5-6,9H,2-4H2,1H3
InChIKeyBSAWSOTYEPPEAY-UHFFFAOYSA-N
XLogP1.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-fluoro-8-methyl-6-thia-3-azabicyclo[3.2.1]octane with MolForge

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Launch Full Analysis

Related Compounds

4-(Difluoromethyl)-1-thia-8-azaspiro[4.5]decane
CID 71306123
4-(Fluoromethyl)-1-thia-9-azaspiro[4.6]undecane
CID 71306131
4-(Fluoromethyl)-1-thia-8-azaspiro[4.5]decane
CID 71306178
(4S,5S)-4-(Fluoromethyl)-1-thia-8-azaspiro[4.6]undecane
CID 97112375
8-Fluoro-6-thia-3-azabicyclo[3.2.1]octane
CID 105429079
8,8-Difluoro-6-thia-3-azabicyclo[3.2.1]octane
CID 105432720
8-Fluoro-8-methyl-6lambda6-thia-3-azabicyclo[3.2.1]octane 6,6-dioxide
CID 105446953
3-Fluoro-3-methyl-4-(thian-4-yl)pyrrolidine
CID 115023177
6-Thia-3-azabicyclo[3.2.1]octane
CID 84762282
4-Methyl-1-thia-8-azaspiro[4.5]decane
CID 91551256
7-Methyl-3-thia-6-azabicyclo[3.2.1]octane
CID 139403421
(6R)-6-methyl-3-thia-8-azabicyclo[3.2.1]octane
CID 166925911

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-8-methyl-6-thia-3-azabicyclo[3.2.1]octane?
The IUPAC name of 8-fluoro-8-methyl-6-thia-3-azabicyclo[3.2.1]octane (CID 105431709) is 8-fluoro-8-methyl-6-thia-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-fluoro-8-methyl-6-thia-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-fluoro-8-methyl-6-thia-3-azabicyclo[3.2.1]octane is CC1(F)C2CNCC1SC2.
What is the InChIKey of 8-fluoro-8-methyl-6-thia-3-azabicyclo[3.2.1]octane?
The InChIKey is BSAWSOTYEPPEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNS/c1-7(8)5-2-9-3-6(7)10-4-5/h5-6,9H,2-4H2,1H3.
What are the key properties of 8-fluoro-8-methyl-6-thia-3-azabicyclo[3.2.1]octane?
8-fluoro-8-methyl-6-thia-3-azabicyclo[3.2.1]octane has a molecular weight of 161.24 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-8-methyl-6-thia-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 105431709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).