3,3,7-trimethyl-3λ4-thia-7-azabicyclo[3.3.1]nonane

C10H21NS — CID 21021856

IUPAC3,3,7-trimethyl-3λ4-thia-7-azabicyclo[3.3.1]nonane
SMILESCN1CC2CC(C1)CS(C)(C)C2
InChIInChI=1S/C10H21NS/c1-11-5-9-4-10(6-11)8-12(2,3)7-9/h9-10H,4-8H2,1-3H3
InChIKeyJGVUIIYMKPQJDN-UHFFFAOYSA-N
MW187.35 g/mol
LogP1.63
Rot. Bonds

About 3,3,7-trimethyl-3λ4-thia-7-azabicyclo[3.3.1]nonane

3,3,7-trimethyl-3λ4-thia-7-azabicyclo[3.3.1]nonane (PubChem CID 21021856) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 3,3,7-trimethyl-3λ4-thia-7-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3,3,7-trimethyl-3λ4-thia-7-azabicyclo[3.3.1]nonane
PubChem CID21021856
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name3,3,7-trimethyl-3λ4-thia-7-azabicyclo[3.3.1]nonane
SMILESCN1CC2CC(C1)CS(C)(C)C2
InChIInChI=1S/C10H21NS/c1-11-5-9-4-10(6-11)8-12(2,3)7-9/h9-10H,4-8H2,1-3H3
InChIKeyJGVUIIYMKPQJDN-UHFFFAOYSA-N
XLogP1.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Thia-1,9-diazatricyclo[9.3.1.19,13]hexadecane
CID 129799098
4-(2-Methylpentyl)thiomorpholine
CID 134994483
7-Isopropyl-3-thia-7-azabicyclo[3.3.1]nonane
CID 15035848
1-[5-(3-Methylbutylsulfanyl)pentyl]piperidine
CID 18965262
1-[3-(3-Methylbutylsulfanyl)propyl]piperidine
CID 18965269
10-Ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane
CID 20676440
4-Methyl-1-(thian-4-yl)piperidine
CID 20758867
7,9-Dimethyl-3-thia-9-azabicyclo[3.3.1]nonane
CID 21132332
9-Isocyano-7,9-dimethyl-3-thia-7-azabicyclo[3.3.1]nonane
CID 58019084
1-Methyl-3-(methylsulfanylmethyl)piperidine
CID 58701366
4-(4-Methylpentyl)thiomorpholine
CID 58958244
1-(2-Ethylsulfanylethyl)-3-methylpiperidine
CID 60061025

Frequently Asked Questions

What is the IUPAC name of 3,3,7-trimethyl-3λ4-thia-7-azabicyclo[3.3.1]nonane?
The IUPAC name of 3,3,7-trimethyl-3λ4-thia-7-azabicyclo[3.3.1]nonane (CID 21021856) is 3,3,7-trimethyl-3λ4-thia-7-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 3,3,7-trimethyl-3λ4-thia-7-azabicyclo[3.3.1]nonane?
The canonical SMILES for 3,3,7-trimethyl-3λ4-thia-7-azabicyclo[3.3.1]nonane is CN1CC2CC(C1)CS(C)(C)C2.
What is the InChIKey of 3,3,7-trimethyl-3λ4-thia-7-azabicyclo[3.3.1]nonane?
The InChIKey is JGVUIIYMKPQJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-11-5-9-4-10(6-11)8-12(2,3)7-9/h9-10H,4-8H2,1-3H3.
What are the key properties of 3,3,7-trimethyl-3λ4-thia-7-azabicyclo[3.3.1]nonane?
3,3,7-trimethyl-3λ4-thia-7-azabicyclo[3.3.1]nonane has a molecular weight of 187.35 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethyl-3λ4-thia-7-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 21021856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).