7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane

C9H17NS — CID 21132332

IUPAC7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane
SMILESCC1CC2CSCC(C1)N2C
InChIInChI=1S/C9H17NS/c1-7-3-8-5-11-6-9(4-7)10(8)2/h7-9H,3-6H2,1-2H3
InChIKeyFZWUNQIACJEZMF-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.83
Rot. Bonds

About 7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane

7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane (PubChem CID 21132332) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane
PubChem CID21132332
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane
SMILESCC1CC2CSCC(C1)N2C
InChIInChI=1S/C9H17NS/c1-7-3-8-5-11-6-9(4-7)10(8)2/h7-9H,3-6H2,1-2H3
InChIKeyFZWUNQIACJEZMF-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Piperidinoethyl)hexyl sulfide hydrochloride
CID 129787692
7-Isopropyl-3-thia-7-azabicyclo[3.3.1]nonane
CID 15035848
9-Methyl-3-thia-9-azabicyclo[3.3.1]nonane
CID 19960447
10-Ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane
CID 20676440
4-Methyl-1-(thian-4-yl)piperidine
CID 20758867
4-(4-Methylcyclohexyl)thiomorpholine
CID 20761843
3,3,7-Trimethyl-3lambda4-thia-7-azabicyclo[3.3.1]nonane
CID 21021856
9-Propan-2-yl-3-thia-9-azabicyclo[3.3.1]nonane
CID 58961011
9-Tert-butyl-3-thia-9-azabicyclo[3.3.1]nonane
CID 58967566
9,9-Dimethyl-1-thia-9-azoniaspiro[5.5]undecane
CID 91494378
1-Methyl-2,3,4,4a,5,6,8,8a-octahydrothiopyrano[3,4-b]pyridine
CID 117685081
1-Tert-butyl-2,3,4,4a,5,6,8,8a-octahydrothiopyrano[3,4-b]pyridine
CID 118901701

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane (CID 21132332) is 7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane is CC1CC2CSCC(C1)N2C.
What is the InChIKey of 7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane?
The InChIKey is FZWUNQIACJEZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-7-3-8-5-11-6-9(4-7)10(8)2/h7-9H,3-6H2,1-2H3.
What are the key properties of 7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane?
7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane has a molecular weight of 171.31 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-3-thia-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 21132332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).