11-(1-ethylsulfanylpropan-2-yl)-7-methyl-3,7,11-triazaspiro[5.6]dodecane

C15H31N3S — CID 121495587

IUPAC11-(1-ethylsulfanylpropan-2-yl)-7-methyl-3,7,11-triazaspiro[5.6]dodecane
SMILESCCSCC(C)N1CCCN(C)C2(CCNCC2)C1
InChIInChI=1S/C15H31N3S/c1-4-19-12-14(2)18-11-5-10-17(3)15(13-18)6-8-16-9-7-15/h14,16H,4-13H2,1-3H3
InChIKeyJZIYASHCHALCTD-UHFFFAOYSA-N
MW285.50 g/mol
LogP1.89
Rot. Bonds4

About 11-(1-ethylsulfanylpropan-2-yl)-7-methyl-3,7,11-triazaspiro[5.6]dodecane

11-(1-ethylsulfanylpropan-2-yl)-7-methyl-3,7,11-triazaspiro[5.6]dodecane (PubChem CID 121495587) has the molecular formula C15H31N3S and a molecular weight of 285.50 g/mol. Its IUPAC name is 11-(1-ethylsulfanylpropan-2-yl)-7-methyl-3,7,11-triazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-(1-ethylsulfanylpropan-2-yl)-7-methyl-3,7,11-triazaspiro[5.6]dodecane
PubChem CID121495587
Molecular FormulaC15H31N3S
Molecular Weight285.50 g/mol
Exact Mass285.22
IUPAC Name11-(1-ethylsulfanylpropan-2-yl)-7-methyl-3,7,11-triazaspiro[5.6]dodecane
SMILESCCSCC(C)N1CCCN(C)C2(CCNCC2)C1
InChIInChI=1S/C15H31N3S/c1-4-19-12-14(2)18-11-5-10-17(3)15(13-18)6-8-16-9-7-15/h14,16H,4-13H2,1-3H3
InChIKeyJZIYASHCHALCTD-UHFFFAOYSA-N
XLogP1.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-1-ethylsulfanylpropan-2-yl]-1,4-diazepane
CID 124594878
1-methyl-1,7-diazaspiro[4.4]nonane
CID 52988115
(5S)-1-methyl-1,7-diazaspiro[4.4]nonane
CID 86326981
1-hexan-2-yl-1,5-diazocane
CID 62200653
(4-chloro-2-hydroxyphenyl)-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone
CID 77089574
ethane;1-methyl-1,7-diazaspiro[3.4]octane
CID 143687506
1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine)
CID 158286556
2-[2-(2,9-diazaspiro[5.5]undecan-2-yl)propyl]-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 146389073
3-ethyl-3-methyl-1-(4-methylpentan-2-yl)-1,4-diazepane
CID 64944716
11-hexan-2-yl-7,11-diazaspiro[5.6]dodecane
CID 64949563
(2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone
CID 99946553
7-methyl-11-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,7,11-triazaspiro[5.6]dodecane
CID 131907638

Frequently Asked Questions

What is the IUPAC name of 11-(1-ethylsulfanylpropan-2-yl)-7-methyl-3,7,11-triazaspiro[5.6]dodecane?
The IUPAC name of 11-(1-ethylsulfanylpropan-2-yl)-7-methyl-3,7,11-triazaspiro[5.6]dodecane (CID 121495587) is 11-(1-ethylsulfanylpropan-2-yl)-7-methyl-3,7,11-triazaspiro[5.6]dodecane.
What is the SMILES notation for 11-(1-ethylsulfanylpropan-2-yl)-7-methyl-3,7,11-triazaspiro[5.6]dodecane?
The canonical SMILES for 11-(1-ethylsulfanylpropan-2-yl)-7-methyl-3,7,11-triazaspiro[5.6]dodecane is CCSCC(C)N1CCCN(C)C2(CCNCC2)C1.
What is the InChIKey of 11-(1-ethylsulfanylpropan-2-yl)-7-methyl-3,7,11-triazaspiro[5.6]dodecane?
The InChIKey is JZIYASHCHALCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3S/c1-4-19-12-14(2)18-11-5-10-17(3)15(13-18)6-8-16-9-7-15/h14,16H,4-13H2,1-3H3.
What are the key properties of 11-(1-ethylsulfanylpropan-2-yl)-7-methyl-3,7,11-triazaspiro[5.6]dodecane?
11-(1-ethylsulfanylpropan-2-yl)-7-methyl-3,7,11-triazaspiro[5.6]dodecane has a molecular weight of 285.50 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1-ethylsulfanylpropan-2-yl)-7-methyl-3,7,11-triazaspiro[5.6]dodecane is sourced from PubChem (CID 121495587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).