7,7-dimethyl-5-thia-2,8-diazaspiro[3.4]octane

C7H14N2S — CID 80500566

IUPAC7,7-dimethyl-5-thia-2,8-diazaspiro[3.4]octane
SMILESCC1(C)CSC2(CNC2)N1
InChIInChI=1S/C7H14N2S/c1-6(2)5-10-7(9-6)3-8-4-7/h8-9H,3-5H2,1-2H3
InChIKeySXLYQHLNQXKVFL-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.40
Rot. Bonds

About 7,7-dimethyl-5-thia-2,8-diazaspiro[3.4]octane

7,7-dimethyl-5-thia-2,8-diazaspiro[3.4]octane (PubChem CID 80500566) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 7,7-dimethyl-5-thia-2,8-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7,7-dimethyl-5-thia-2,8-diazaspiro[3.4]octane
PubChem CID80500566
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name7,7-dimethyl-5-thia-2,8-diazaspiro[3.4]octane
SMILESCC1(C)CSC2(CNC2)N1
InChIInChI=1S/C7H14N2S/c1-6(2)5-10-7(9-6)3-8-4-7/h8-9H,3-5H2,1-2H3
InChIKeySXLYQHLNQXKVFL-UHFFFAOYSA-N
XLogP0.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane
CID 80500793
8-ethyl-3,3-dimethyl-1-thia-4-azaspiro[4.5]decane
CID 80500472
4,4-dimethyl-1,3-thiazolidine-2,2-diamine
CID 150101692
3,3-dimethyl-7-propan-2-yl-1-thia-4,7-diazaspiro[4.4]nonane
CID 80500770
2-ethyl-4,4-dimethyl-2-propan-2-yl-1,3-thiazolidine
CID 80500631
ethane;2,2,6,6-tetramethylpiperazine
CID 178166936
2-ethyl-4,4-dimethyl-2-(oxolan-3-yl)-1,3-thiazolidine
CID 130503579
1,5-dimethyl-3-azabicyclo[3.1.0]hexane
CID 23049859
1,5-dimethyl-3-azabicyclo[3.2.0]heptane
CID 23049848
CID 70372398
CID 70372398
2-thia-6-azaspiro[3.3]heptane
CID 55279071
1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 45120452

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-thia-2,8-diazaspiro[3.4]octane?
The IUPAC name of 7,7-dimethyl-5-thia-2,8-diazaspiro[3.4]octane (CID 80500566) is 7,7-dimethyl-5-thia-2,8-diazaspiro[3.4]octane.
What is the SMILES notation for 7,7-dimethyl-5-thia-2,8-diazaspiro[3.4]octane?
The canonical SMILES for 7,7-dimethyl-5-thia-2,8-diazaspiro[3.4]octane is CC1(C)CSC2(CNC2)N1.
What is the InChIKey of 7,7-dimethyl-5-thia-2,8-diazaspiro[3.4]octane?
The InChIKey is SXLYQHLNQXKVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-6(2)5-10-7(9-6)3-8-4-7/h8-9H,3-5H2,1-2H3.
What are the key properties of 7,7-dimethyl-5-thia-2,8-diazaspiro[3.4]octane?
7,7-dimethyl-5-thia-2,8-diazaspiro[3.4]octane has a molecular weight of 158.27 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-thia-2,8-diazaspiro[3.4]octane is sourced from PubChem (CID 80500566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).