2-methyl-6-thia-2-azaspiro[4.5]decane

C9H17NS — CID 82411960

IUPAC2-methyl-6-thia-2-azaspiro[4.5]decane
SMILESCN1CCC2(CCCCS2)C1
InChIInChI=1S/C9H17NS/c1-10-6-5-9(8-10)4-2-3-7-11-9/h2-8H2,1H3
InChIKeyYXHOTSXOVSHWTO-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.98
Rot. Bonds

About 2-methyl-6-thia-2-azaspiro[4.5]decane

2-methyl-6-thia-2-azaspiro[4.5]decane (PubChem CID 82411960) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-methyl-6-thia-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-methyl-6-thia-2-azaspiro[4.5]decane
PubChem CID82411960
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-methyl-6-thia-2-azaspiro[4.5]decane
SMILESCN1CCC2(CCCCS2)C1
InChIInChI=1S/C9H17NS/c1-10-6-5-9(8-10)4-2-3-7-11-9/h2-8H2,1H3
InChIKeyYXHOTSXOVSHWTO-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,8-Dimethyl-1,3-dithia-8-aza-spiro[4.5]decane
CID 13690090
N,N-Dimethyl-3-(8-thia-2-azaspiro(4.5)dec-2-yl)-1-propanamine
CID 417531
10,14-Dimethyl-1,4,13-trithia-10-azadispiro[4.1.57.25]tetradecane
CID 11778164
2-Fluoro-6-thia-2-azaspiro[4.5]decane
CID 142603628
1-(2-Ethyl-3-propylthietan-3-yl)pyrrolidine
CID 134895523
2,3-Diethyl-8-thia-5-azoniaspiro[4.5]decane
CID 20676427
2,3-Dimethyl-6-thia-2-azaspiro[4.5]decane
CID 21054010
2,3-Di(propan-2-yl)-6,10-dithia-2-azaspiro[4.5]decane
CID 58402762
2,8-Dimethyl-1-thia-8-azaspiro[4.5]decane
CID 58516172
CID 58699785
CID 58699785
3-(Methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58778374
2,8-Dimethyl-1lambda4-thia-8-azaspiro[4.5]decane 1-oxide
CID 67822610

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-thia-2-azaspiro[4.5]decane?
The IUPAC name of 2-methyl-6-thia-2-azaspiro[4.5]decane (CID 82411960) is 2-methyl-6-thia-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-methyl-6-thia-2-azaspiro[4.5]decane?
The canonical SMILES for 2-methyl-6-thia-2-azaspiro[4.5]decane is CN1CCC2(CCCCS2)C1.
What is the InChIKey of 2-methyl-6-thia-2-azaspiro[4.5]decane?
The InChIKey is YXHOTSXOVSHWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-10-6-5-9(8-10)4-2-3-7-11-9/h2-8H2,1H3.
What are the key properties of 2-methyl-6-thia-2-azaspiro[4.5]decane?
2-methyl-6-thia-2-azaspiro[4.5]decane has a molecular weight of 171.31 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-thia-2-azaspiro[4.5]decane is sourced from PubChem (CID 82411960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).