ethane;6-methyl-6-propan-2-yl-2-thia-7-azaspiro[3.4]octane

C12H25NS — CID 164876143

IUPACethane;6-methyl-6-propan-2-yl-2-thia-7-azaspiro[3.4]octane
SMILESCC.CC(C)C1(C)CC2(CN1)CSC2
InChIInChI=1S/C10H19NS.C2H6/c1-8(2)9(3)4-10(5-11-9)6-12-7-10;1-2/h8,11H,4-7H2,1-3H3;1-2H3
InChIKeyPIOMZHVAIZCWAB-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.15
Rot. Bonds1

About ethane;6-methyl-6-propan-2-yl-2-thia-7-azaspiro[3.4]octane

ethane;6-methyl-6-propan-2-yl-2-thia-7-azaspiro[3.4]octane (PubChem CID 164876143) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is ethane;6-methyl-6-propan-2-yl-2-thia-7-azaspiro[3.4]octane.

Molecular Properties

Compound Nameethane;6-methyl-6-propan-2-yl-2-thia-7-azaspiro[3.4]octane
PubChem CID164876143
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Nameethane;6-methyl-6-propan-2-yl-2-thia-7-azaspiro[3.4]octane
SMILESCC.CC(C)C1(C)CC2(CN1)CSC2
InChIInChI=1S/C10H19NS.C2H6/c1-8(2)9(3)4-10(5-11-9)6-12-7-10;1-2/h8,11H,4-7H2,1-3H3;1-2H3
InChIKeyPIOMZHVAIZCWAB-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-6-propan-2-yl-2-thia-7-azaspiro[3.4]octane?
The IUPAC name of ethane;6-methyl-6-propan-2-yl-2-thia-7-azaspiro[3.4]octane (CID 164876143) is ethane;6-methyl-6-propan-2-yl-2-thia-7-azaspiro[3.4]octane.
What is the SMILES notation for ethane;6-methyl-6-propan-2-yl-2-thia-7-azaspiro[3.4]octane?
The canonical SMILES for ethane;6-methyl-6-propan-2-yl-2-thia-7-azaspiro[3.4]octane is CC.CC(C)C1(C)CC2(CN1)CSC2.
What is the InChIKey of ethane;6-methyl-6-propan-2-yl-2-thia-7-azaspiro[3.4]octane?
The InChIKey is PIOMZHVAIZCWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS.C2H6/c1-8(2)9(3)4-10(5-11-9)6-12-7-10;1-2/h8,11H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;6-methyl-6-propan-2-yl-2-thia-7-azaspiro[3.4]octane?
ethane;6-methyl-6-propan-2-yl-2-thia-7-azaspiro[3.4]octane has a molecular weight of 215.41 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-6-propan-2-yl-2-thia-7-azaspiro[3.4]octane is sourced from PubChem (CID 164876143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).