ethane;2-methyl-6-(thian-4-yl)-2,6-diazaspiro[3.4]octane

C14H28N2S — CID 178147774

IUPACethane;2-methyl-6-(thian-4-yl)-2,6-diazaspiro[3.4]octane
SMILESCC.CN1CC2(CCN(C3CCSCC3)C2)C1
InChIInChI=1S/C12H22N2S.C2H6/c1-13-8-12(9-13)4-5-14(10-12)11-2-6-15-7-3-11;1-2/h11H,2-10H2,1H3;1-2H3
InChIKeyJIQXRTHRRPFKFZ-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.55
Rot. Bonds1

About ethane;2-methyl-6-(thian-4-yl)-2,6-diazaspiro[3.4]octane

ethane;2-methyl-6-(thian-4-yl)-2,6-diazaspiro[3.4]octane (PubChem CID 178147774) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is ethane;2-methyl-6-(thian-4-yl)-2,6-diazaspiro[3.4]octane.

Molecular Properties

Compound Nameethane;2-methyl-6-(thian-4-yl)-2,6-diazaspiro[3.4]octane
PubChem CID178147774
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Nameethane;2-methyl-6-(thian-4-yl)-2,6-diazaspiro[3.4]octane
SMILESCC.CN1CC2(CCN(C3CCSCC3)C2)C1
InChIInChI=1S/C12H22N2S.C2H6/c1-13-8-12(9-13)4-5-14(10-12)11-2-6-15-7-3-11;1-2/h11H,2-10H2,1H3;1-2H3
InChIKeyJIQXRTHRRPFKFZ-UHFFFAOYSA-N
XLogP2.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-(thian-4-yl)-2,6-diazaspiro[3.4]octane?
The IUPAC name of ethane;2-methyl-6-(thian-4-yl)-2,6-diazaspiro[3.4]octane (CID 178147774) is ethane;2-methyl-6-(thian-4-yl)-2,6-diazaspiro[3.4]octane.
What is the SMILES notation for ethane;2-methyl-6-(thian-4-yl)-2,6-diazaspiro[3.4]octane?
The canonical SMILES for ethane;2-methyl-6-(thian-4-yl)-2,6-diazaspiro[3.4]octane is CC.CN1CC2(CCN(C3CCSCC3)C2)C1.
What is the InChIKey of ethane;2-methyl-6-(thian-4-yl)-2,6-diazaspiro[3.4]octane?
The InChIKey is JIQXRTHRRPFKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S.C2H6/c1-13-8-12(9-13)4-5-14(10-12)11-2-6-15-7-3-11;1-2/h11H,2-10H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-6-(thian-4-yl)-2,6-diazaspiro[3.4]octane?
ethane;2-methyl-6-(thian-4-yl)-2,6-diazaspiro[3.4]octane has a molecular weight of 256.46 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-(thian-4-yl)-2,6-diazaspiro[3.4]octane is sourced from PubChem (CID 178147774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).