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

C10H21NS — CID 145026644

IUPACethane;2-methyl-7-thia-2-azaspiro[3.5]nonane
SMILESCC.CN1CC2(CCSCC2)C1
InChIInChI=1S/C8H15NS.C2H6/c1-9-6-8(7-9)2-4-10-5-3-8;1-2/h2-7H2,1H3;1-2H3
InChIKeyHHZCDRGVGWOLRP-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.47
Rot. Bonds

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

ethane;2-methyl-7-thia-2-azaspiro[3.5]nonane (PubChem CID 145026644) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is ethane;2-methyl-7-thia-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;2-methyl-7-thia-2-azaspiro[3.5]nonane
PubChem CID145026644
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Nameethane;2-methyl-7-thia-2-azaspiro[3.5]nonane
SMILESCC.CN1CC2(CCSCC2)C1
InChIInChI=1S/C8H15NS.C2H6/c1-9-6-8(7-9)2-4-10-5-3-8;1-2/h2-7H2,1H3;1-2H3
InChIKeyHHZCDRGVGWOLRP-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

2-Methyl-7-thia-2-azaspiro[3.5]nonane
CID 139310138
Ethane;2-methyl-7lambda4-thia-2-azaspiro[3.5]nonane 7-oxide
CID 145026629
N,N-dimethyl-1-(thian-4-yl)methanamine
CID 145167824
7-Methyl-2-thia-7-azaspiro[3.5]nonane
CID 154968828
Ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane
CID 162763444
2-Propan-2-yl-7-thia-2-azaspiro[3.5]nonane
CID 166054937
7-(2-Methylpropyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[3.5]nonane
CID 167136491
Ethane;7-methyl-2-thia-7-azaspiro[3.5]nonane
CID 169134765
2-Methyl-7-methylimino-7lambda6-thia-2-azaspiro[3.5]nonane 7-oxide
CID 169566479
2-Methyl-6-thia-2-azaspiro[3.5]nonane
CID 82415823
2-Methyl-7lambda4-thia-2-azaspiro[3.5]nonane 7-oxide
CID 145026630

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-7-thia-2-azaspiro[3.5]nonane?
The IUPAC name of ethane;2-methyl-7-thia-2-azaspiro[3.5]nonane (CID 145026644) is ethane;2-methyl-7-thia-2-azaspiro[3.5]nonane.
What is the SMILES notation for ethane;2-methyl-7-thia-2-azaspiro[3.5]nonane?
The canonical SMILES for ethane;2-methyl-7-thia-2-azaspiro[3.5]nonane is CC.CN1CC2(CCSCC2)C1.
What is the InChIKey of ethane;2-methyl-7-thia-2-azaspiro[3.5]nonane?
The InChIKey is HHZCDRGVGWOLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS.C2H6/c1-9-6-8(7-9)2-4-10-5-3-8;1-2/h2-7H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-7-thia-2-azaspiro[3.5]nonane?
ethane;2-methyl-7-thia-2-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;2-methyl-7-thia-2-azaspiro[3.5]nonane is sourced from PubChem (CID 145026644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).