5-(2-pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene

C11H19N3S — CID 169005315

IUPAC5-(2-pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene
SMILESC1CCN(CCSC2=NCC3(CC3)N2)C1
InChIInChI=1S/C11H19N3S/c1-2-6-14(5-1)7-8-15-10-12-9-11(13-10)3-4-11/h1-9H2,(H,12,13)
InChIKeyLZJJORJWMMGIKT-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.31
Rot. Bonds3

About 5-(2-pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene

5-(2-pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene (PubChem CID 169005315) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-(2-pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene.

Molecular Properties

Compound Name5-(2-pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene
PubChem CID169005315
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name5-(2-pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene
SMILESC1CCN(CCSC2=NCC3(CC3)N2)C1
InChIInChI=1S/C11H19N3S/c1-2-6-14(5-1)7-8-15-10-12-9-11(13-10)3-4-11/h1-9H2,(H,12,13)
InChIKeyLZJJORJWMMGIKT-UHFFFAOYSA-N
XLogP1.31
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole
CID 13018884
2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride
CID 13018885
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]-6,6-dimethyl-3,5-dihydro-2H-imidazo[2,1-b][1,3]thiazole
CID 155166506
5-(4-Pyrrolidin-1-ylbutylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene;dihydrochloride
CID 169004865
5-(4-Pyrrolidin-1-ylbutylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene
CID 169004866
2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole
CID 169004918
5,5-Dimethyl-2-(4-pyrrolidin-1-ylbutylsulfanyl)-1,4-dihydroimidazole
CID 169005139
2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole
CID 169005186
5,5-Dimethyl-2-(4-pyrrolidin-1-ylbutylsulfanyl)-1,4-dihydroimidazole;dihydrochloride
CID 169005253
5-(2-Pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene;dihydrochloride
CID 169005353
3-[(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine
CID 175466821
5-cyclopropyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 55170832

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene?
The IUPAC name of 5-(2-pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene (CID 169005315) is 5-(2-pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene.
What is the SMILES notation for 5-(2-pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene?
The canonical SMILES for 5-(2-pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene is C1CCN(CCSC2=NCC3(CC3)N2)C1.
What is the InChIKey of 5-(2-pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene?
The InChIKey is LZJJORJWMMGIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-6-14(5-1)7-8-15-10-12-9-11(13-10)3-4-11/h1-9H2,(H,12,13).
What are the key properties of 5-(2-pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene?
5-(2-pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene has a molecular weight of 225.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyrrolidin-1-ylethylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene is sourced from PubChem (CID 169005315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).