3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane

C9H17NS — CID 80500793

IUPAC3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane
SMILESCC1(C)CSC2(CCCC2)N1
InChIInChI=1S/C9H17NS/c1-8(2)7-11-9(10-8)5-3-4-6-9/h10H,3-7H2,1-2H3
InChIKeyKHTOYPSQNYKEAJ-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.37
Rot. Bonds

About 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane

3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane (PubChem CID 80500793) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane.

Molecular Properties

Compound Name3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane
PubChem CID80500793
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane
SMILESCC1(C)CSC2(CCCC2)N1
InChIInChI=1S/C9H17NS/c1-8(2)7-11-9(10-8)5-3-4-6-9/h10H,3-7H2,1-2H3
InChIKeyKHTOYPSQNYKEAJ-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-5-thia-2,8-diazaspiro[3.4]octane
CID 80500566
8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane
CID 80500472
3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane
CID 80500770
4,4-dimethyl-1,3-thiazolidine-2,2-diamine
CID 150101692
2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine
CID 80500631
3,3-dimethyl-1-azaspiro[3.4]octane
CID 167732753
2,2-dimethyl-1-azaspiro[4.4]nonane
CID 54027373
(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
CID 160715479
CID 70372398
CID 70372398
3-ethyl-1-thia-4,9-diazaspiro[4.5]decane
CID 80500848
1-thia-4-azaspiro[4.4]nonane
CID 50853175
magnesium;2,2,6,6-tetramethylpiperidine;chloride
CID 173066007

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane?
The IUPAC name of 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane (CID 80500793) is 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane.
What is the SMILES notation for 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane?
The canonical SMILES for 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane is CC1(C)CSC2(CCCC2)N1.
What is the InChIKey of 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane?
The InChIKey is KHTOYPSQNYKEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-8(2)7-11-9(10-8)5-3-4-6-9/h10H,3-7H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane?
3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane has a molecular weight of 171.31 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane is sourced from PubChem (CID 80500793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).