ethane;1-thia-4,8-diazaspiro[4.5]decane

C11H26N2S — CID 143985380

IUPACethane;1-thia-4,8-diazaspiro[4.5]decane
SMILESC1CC2(CCN1)NCCS2.CC.CC
InChIInChI=1S/C7H14N2S.2C2H6/c1-3-8-4-2-7(1)9-5-6-10-7;2*1-2/h8-9H,1-6H2;2*1-2H3
InChIKeyZQZTYIHYTCIWOW-UHFFFAOYSA-N
MW218.41 g/mol
LogP2.45
Rot. Bonds

About ethane;1-thia-4,8-diazaspiro[4.5]decane

ethane;1-thia-4,8-diazaspiro[4.5]decane (PubChem CID 143985380) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is ethane;1-thia-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Nameethane;1-thia-4,8-diazaspiro[4.5]decane
PubChem CID143985380
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC Nameethane;1-thia-4,8-diazaspiro[4.5]decane
SMILESC1CC2(CCN1)NCCS2.CC.CC
InChIInChI=1S/C7H14N2S.2C2H6/c1-3-8-4-2-7(1)9-5-6-10-7;2*1-2/h8-9H,1-6H2;2*1-2H3
InChIKeyZQZTYIHYTCIWOW-UHFFFAOYSA-N
XLogP2.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-thia-4,8-diazaspiro[4.5]decane
CID 22467178
1-thia-4-azaspiro[4.4]nonane
CID 50853175
1-thia-4-azaspiro[4.5]decane
CID 14155910
1-thia-4-azaspiro[4.7]dodecane
CID 66525255
8-oxa-1-thia-4-azaspiro[4.5]decane
CID 50853196
4,10,10-trimethyl-1-thia-5,9-diazaspiro[5.5]undecane
CID 164646754
1-thia-7-azaspiro[3.5]nonane
CID 118209775
1,7-diazaspiro[3.5]nonane;ethane
CID 168977317
2-ethoxy-5-thia-8-azaspiro[3.4]octane
CID 106824053
1,4-dithia-8-azaspiro[4.5]decane;hydrochloride
CID 12954121
7-(2-methoxyethyl)-1-thia-4,7-diazaspiro[4.4]nonane
CID 130645894
2-methyl-1-(1-thia-4,7-diazaspiro[4.4]nonan-7-yl)propan-1-one
CID 169318479

Frequently Asked Questions

What is the IUPAC name of ethane;1-thia-4,8-diazaspiro[4.5]decane?
The IUPAC name of ethane;1-thia-4,8-diazaspiro[4.5]decane (CID 143985380) is ethane;1-thia-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for ethane;1-thia-4,8-diazaspiro[4.5]decane?
The canonical SMILES for ethane;1-thia-4,8-diazaspiro[4.5]decane is C1CC2(CCN1)NCCS2.CC.CC.
What is the InChIKey of ethane;1-thia-4,8-diazaspiro[4.5]decane?
The InChIKey is ZQZTYIHYTCIWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S.2C2H6/c1-3-8-4-2-7(1)9-5-6-10-7;2*1-2/h8-9H,1-6H2;2*1-2H3.
What are the key properties of ethane;1-thia-4,8-diazaspiro[4.5]decane?
ethane;1-thia-4,8-diazaspiro[4.5]decane has a molecular weight of 218.41 g/mol, XLogP of 2.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-thia-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 143985380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).