10-methyl-9-thia-2-azaspiro[5.5]undecane

C10H19NS — CID 13285211

IUPAC10-methyl-9-thia-2-azaspiro[5.5]undecane
SMILESCC1CC2(CCCNC2)CCS1
InChIInChI=1S/C10H19NS/c1-9-7-10(4-6-12-9)3-2-5-11-8-10/h9,11H,2-8H2,1H3
InChIKeyUBJLWFCBVWPWFN-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.27
Rot. Bonds

About 10-methyl-9-thia-2-azaspiro[5.5]undecane

10-methyl-9-thia-2-azaspiro[5.5]undecane (PubChem CID 13285211) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 10-methyl-9-thia-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name10-methyl-9-thia-2-azaspiro[5.5]undecane
PubChem CID13285211
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name10-methyl-9-thia-2-azaspiro[5.5]undecane
SMILESCC1CC2(CCCNC2)CCS1
InChIInChI=1S/C10H19NS/c1-9-7-10(4-6-12-9)3-2-5-11-8-10/h9,11H,2-8H2,1H3
InChIKeyUBJLWFCBVWPWFN-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Thia-4-azaspiro(5.5)undecane
CID 58300401
9-Thia-2-azaspiro(5.5)undecane
CID 64221435
3-Thia-9-azaspiro[5.5]undecane hydrochloride
CID 134690844
1,5-Dimethyl-3-thia-7-azabicyclo[3.3.1]nonane
CID 129874146
4-Fluoro-4-(thian-4-yl)piperidine
CID 83819654
3-Fluoro-3-(thian-4-yl)piperidine
CID 83819655
3-Fluoro-4-(thian-4-yl)piperidine
CID 105426907
4-Fluoro-9-thia-1-azaspiro[5.5]undecane
CID 115017931
5-Fluoro-9-thia-1-azaspiro[5.5]undecane
CID 115017932
3-Fluoro-4-(thian-3-yl)piperidine
CID 115023175
4-Fluoro-3-(thian-3-yl)piperidine
CID 115023178
4-Fluoro-3-(thian-4-yl)piperidine
CID 115023179

Frequently Asked Questions

What is the IUPAC name of 10-methyl-9-thia-2-azaspiro[5.5]undecane?
The IUPAC name of 10-methyl-9-thia-2-azaspiro[5.5]undecane (CID 13285211) is 10-methyl-9-thia-2-azaspiro[5.5]undecane.
What is the SMILES notation for 10-methyl-9-thia-2-azaspiro[5.5]undecane?
The canonical SMILES for 10-methyl-9-thia-2-azaspiro[5.5]undecane is CC1CC2(CCCNC2)CCS1.
What is the InChIKey of 10-methyl-9-thia-2-azaspiro[5.5]undecane?
The InChIKey is UBJLWFCBVWPWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-9-7-10(4-6-12-9)3-2-5-11-8-10/h9,11H,2-8H2,1H3.
What are the key properties of 10-methyl-9-thia-2-azaspiro[5.5]undecane?
10-methyl-9-thia-2-azaspiro[5.5]undecane has a molecular weight of 185.34 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9-thia-2-azaspiro[5.5]undecane is sourced from PubChem (CID 13285211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).