10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane

C10H20N2S — CID 13092757

IUPAC10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)CC2(CCS1)CNCCN2
InChIInChI=1S/C10H20N2S/c1-9(2)7-10(3-6-13-9)8-11-4-5-12-10/h11-12H,3-8H2,1-2H3
InChIKeyZSURYFWAAAIHGK-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.22
Rot. Bonds

About 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane

10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane (PubChem CID 13092757) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane
PubChem CID13092757
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)CC2(CCS1)CNCCN2
InChIInChI=1S/C10H20N2S/c1-9(2)7-10(3-6-13-9)8-11-4-5-12-10/h11-12H,3-8H2,1-2H3
InChIKeyZSURYFWAAAIHGK-UHFFFAOYSA-N
XLogP1.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane (CID 13092757) is 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane is CC1(C)CC2(CCS1)CNCCN2.
What is the InChIKey of 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane?
The InChIKey is ZSURYFWAAAIHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-9(2)7-10(3-6-13-9)8-11-4-5-12-10/h11-12H,3-8H2,1-2H3.
What are the key properties of 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane?
10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane has a molecular weight of 200.35 g/mol, XLogP of 1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-9-thia-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 13092757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).