ethane;1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide

C10H21NOS — CID 166144595

IUPACethane;1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide
SMILESCC.CN1CCC12CCS(=O)CC2
InChIInChI=1S/C8H15NOS.C2H6/c1-9-5-2-8(9)3-6-11(10)7-4-8;1-2/h2-7H2,1H3;1-2H3
InChIKeyCNEJVCWYOAZYNF-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.63
Rot. Bonds

About ethane;1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide

ethane;1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide (PubChem CID 166144595) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is ethane;1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide.

Molecular Properties

Compound Nameethane;1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide
PubChem CID166144595
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Nameethane;1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide
SMILESCC.CN1CCC12CCS(=O)CC2
InChIInChI=1S/C8H15NOS.C2H6/c1-9-5-2-8(9)3-6-11(10)7-4-8;1-2/h2-7H2,1H3;1-2H3
InChIKeyCNEJVCWYOAZYNF-UHFFFAOYSA-N
XLogP1.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Ethane;2-methyl-7lambda4-thia-2-azaspiro[3.5]nonane 7-oxide
CID 145026629
1-Methyl-7lambda4-thia-1-azaspiro[3.5]nonane 7-oxide
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1-Propan-2-yl-7lambda6-thia-1-azaspiro[3.5]nonane 7,7-dioxide
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Ethane;1-methyl-7-thia-1-azaspiro[3.5]nonane
CID 162763444
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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide?
The IUPAC name of ethane;1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide (CID 166144595) is ethane;1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide.
What is the SMILES notation for ethane;1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide?
The canonical SMILES for ethane;1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide is CC.CN1CCC12CCS(=O)CC2.
What is the InChIKey of ethane;1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide?
The InChIKey is CNEJVCWYOAZYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS.C2H6/c1-9-5-2-8(9)3-6-11(10)7-4-8;1-2/h2-7H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide?
ethane;1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide has a molecular weight of 203.35 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-7λ4-thia-1-azaspiro[3.5]nonane 7-oxide is sourced from PubChem (CID 166144595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).