ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane

C10H21NS — CID 162763444

IUPACethane;1-methyl-7-thia-1-azaspiro[3.5]nonane
SMILESCC.CN1CCC12CCSCC2
InChIInChI=1S/C8H15NS.C2H6/c1-9-5-2-8(9)3-6-10-7-4-8;1-2/h2-7H2,1H3;1-2H3
InChIKeyRYOWFJXOVXYEEH-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.61
Rot. Bonds

About ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane

ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane (PubChem CID 162763444) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;1-methyl-7-thia-1-azaspiro[3.5]nonane
PubChem CID162763444
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Nameethane;1-methyl-7-thia-1-azaspiro[3.5]nonane
SMILESCC.CN1CCC12CCSCC2
InChIInChI=1S/C8H15NS.C2H6/c1-9-5-2-8(9)3-6-10-7-4-8;1-2/h2-7H2,1H3;1-2H3
InChIKeyRYOWFJXOVXYEEH-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Tert-butyl-4-tert-butylsulfanylpiperidine
CID 59522756
1-Tert-butyl-4-ethylsulfanylpiperidine
CID 90326333
1-Tert-butyl-3-tert-butylsulfanylpiperidine
CID 134386669
Ethane;2-methyl-7-thia-2-azaspiro[3.5]nonane
CID 145026644
3,3,4-Triethylthiomorpholine
CID 152497187
4-[2-Methyl-1-(1-propan-2-ylazetidin-3-yl)propan-2-yl]thiomorpholine
CID 156284809
1-Iodo-7-(1-methylsulfanylethyl)-1,7-diazaspiro[3.5]nonane
CID 156519246
1-Tert-butyl-4-[(3-ethyl-3-methylsulfanylazetidin-1-yl)methyl]piperidine
CID 156551283
1-Methyl-7lambda4-thia-1-azaspiro[3.5]nonane 7-oxide
CID 156736357
1-Ethyl-7lambda6-thia-1-azaspiro[3.5]nonane 7,7-dioxide
CID 162763625
2-Propan-2-yl-7-thia-2-azaspiro[3.5]nonane
CID 166054937
Ethane;1-methyl-7lambda4-thia-1-azaspiro[3.5]nonane 7-oxide
CID 166144595

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane?
The IUPAC name of ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane (CID 162763444) is ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane.
What is the SMILES notation for ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane?
The canonical SMILES for ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane is CC.CN1CCC12CCSCC2.
What is the InChIKey of ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane?
The InChIKey is RYOWFJXOVXYEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS.C2H6/c1-9-5-2-8(9)3-6-10-7-4-8;1-2/h2-7H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane?
ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane has a molecular weight of 187.35 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane is sourced from PubChem (CID 162763444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).