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

C10H19NS — CID 96626386

IUPAC9-methyl-2-thia-9-azaspiro[5.5]undecane
SMILESCN1CCC2(CCCSC2)CC1
InChIInChI=1S/C10H19NS/c1-11-6-4-10(5-7-11)3-2-8-12-9-10/h2-9H2,1H3
InChIKeyMGGYMJGARAOLAT-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.23
Rot. Bonds

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

9-methyl-2-thia-9-azaspiro[5.5]undecane (PubChem CID 96626386) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 9-methyl-2-thia-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-methyl-2-thia-9-azaspiro[5.5]undecane
PubChem CID96626386
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name9-methyl-2-thia-9-azaspiro[5.5]undecane
SMILESCN1CCC2(CCCSC2)CC1
InChIInChI=1S/C10H19NS/c1-11-6-4-10(5-7-11)3-2-8-12-9-10/h2-9H2,1H3
InChIKeyMGGYMJGARAOLAT-UHFFFAOYSA-N
XLogP2.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-Thia-2-azaspiro(5.5)undecane
CID 64221435
3-(10,10-Dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propanenitrile
CID 13285221
2-{8,8-Dimethyl-9-thia-2-azaspiro[5.5]undecan-2-YL}acetonitrile
CID 4385062
10-Ethyl-8-methyl-3-thia-6-azoniaspiro[5.5]undecane
CID 20676440
4-Methyl-1-(thian-4-yl)piperidine
CID 20758867
4-(4,4-Dimethylpentyl)thiomorpholine
CID 21030124
2,8-Dimethyl-1-thia-8-azaspiro[4.5]decane
CID 58516172
4-(5,5-Dimethylhexyl)thiomorpholine
CID 58974868
2-Thia-9-azaspiro[5.5]undecane
CID 63156221
4-(6,6-Dimethylheptyl)thiomorpholine
CID 68070185
4-(4-Ethylhexyl)thiomorpholine
CID 68983454
9-Methyl-2lambda6-thia-9-azaspiro[5.5]undecane 2,2-dioxide
CID 70641654

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-thia-9-azaspiro[5.5]undecane?
The IUPAC name of 9-methyl-2-thia-9-azaspiro[5.5]undecane (CID 96626386) is 9-methyl-2-thia-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-methyl-2-thia-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-methyl-2-thia-9-azaspiro[5.5]undecane is CN1CCC2(CCCSC2)CC1.
What is the InChIKey of 9-methyl-2-thia-9-azaspiro[5.5]undecane?
The InChIKey is MGGYMJGARAOLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-11-6-4-10(5-7-11)3-2-8-12-9-10/h2-9H2,1H3.
What are the key properties of 9-methyl-2-thia-9-azaspiro[5.5]undecane?
9-methyl-2-thia-9-azaspiro[5.5]undecane has a molecular weight of 185.34 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-thia-9-azaspiro[5.5]undecane is sourced from PubChem (CID 96626386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).