ethane;7-methyl-2-thia-7-azaspiro[3.5]nonane

C10H21NS — CID 169134765

IUPACethane;7-methyl-2-thia-7-azaspiro[3.5]nonane
SMILESCC.CN1CCC2(CC1)CSC2
InChIInChI=1S/C8H15NS.C2H6/c1-9-4-2-8(3-5-9)6-10-7-8;1-2/h2-7H2,1H3;1-2H3
InChIKeySNQCLDSAGBNFTP-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.47
Rot. Bonds

About ethane;7-methyl-2-thia-7-azaspiro[3.5]nonane

ethane;7-methyl-2-thia-7-azaspiro[3.5]nonane (PubChem CID 169134765) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is ethane;7-methyl-2-thia-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;7-methyl-2-thia-7-azaspiro[3.5]nonane
PubChem CID169134765
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Nameethane;7-methyl-2-thia-7-azaspiro[3.5]nonane
SMILESCC.CN1CCC2(CC1)CSC2
InChIInChI=1S/C8H15NS.C2H6/c1-9-4-2-8(3-5-9)6-10-7-8;1-2/h2-7H2,1H3;1-2H3
InChIKeySNQCLDSAGBNFTP-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21030124
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CID 58719919
4-Methyl-1-(2-methylsulfanylethyl)piperidine
CID 66695249
1,1-Dimethyl-4-(pentylsulfanylmethyl)piperidin-1-ium
CID 67494409
3-(4,4-Dimethylpiperidin-1-yl)propane-1-thiol
CID 80026026
9-Methyl-2-thia-9-azaspiro[5.5]undecane
CID 96626386
8-Methyl-2-thia-8-azaspiro[4.5]decane
CID 123683470
1,4-Dimethyl-3-methylsulfanylpiperidine
CID 123865415
1-Methyl-4-(1-methylsulfanylethyl)piperidine
CID 126547261
1-(4,4-Dimethylpiperidin-1-yl)ethanethiol
CID 129092241
4-Tert-butyl-1-(2-methylsulfanylethyl)piperidine
CID 129147884

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-2-thia-7-azaspiro[3.5]nonane?
The IUPAC name of ethane;7-methyl-2-thia-7-azaspiro[3.5]nonane (CID 169134765) is ethane;7-methyl-2-thia-7-azaspiro[3.5]nonane.
What is the SMILES notation for ethane;7-methyl-2-thia-7-azaspiro[3.5]nonane?
The canonical SMILES for ethane;7-methyl-2-thia-7-azaspiro[3.5]nonane is CC.CN1CCC2(CC1)CSC2.
What is the InChIKey of ethane;7-methyl-2-thia-7-azaspiro[3.5]nonane?
The InChIKey is SNQCLDSAGBNFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS.C2H6/c1-9-4-2-8(3-5-9)6-10-7-8;1-2/h2-7H2,1H3;1-2H3.
What are the key properties of ethane;7-methyl-2-thia-7-azaspiro[3.5]nonane?
ethane;7-methyl-2-thia-7-azaspiro[3.5]nonane has a molecular weight of 187.35 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-2-thia-7-azaspiro[3.5]nonane is sourced from PubChem (CID 169134765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).