(5S)-5-[(2S)-butan-2-yl]-1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione

C15H29N3S — CID 46902190

IUPAC(5S)-5-[(2S)-butan-2-yl]-1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione
SMILESCC[C@H](C)[C@H]1CNC(=S)N1CC1CCN(CC)CC1
InChIInChI=1S/C15H29N3S/c1-4-12(3)14-10-16-15(19)18(14)11-13-6-8-17(5-2)9-7-13/h12-14H,4-11H2,1-3H3,(H,16,19)/t12-,14+/m0/s1
InChIKeyFGSIBOPHHIQYLQ-GXTWGEPZSA-N
MW283.48 g/mol
LogP2.32
Rot. Bonds5

About (5S)-5-[(2S)-butan-2-yl]-1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione

(5S)-5-[(2S)-butan-2-yl]-1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione (PubChem CID 46902190) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is (5S)-5-[(2S)-butan-2-yl]-1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione.

Molecular Properties

Compound Name(5S)-5-[(2S)-butan-2-yl]-1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione
PubChem CID46902190
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC Name(5S)-5-[(2S)-butan-2-yl]-1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione
SMILESCC[C@H](C)[C@H]1CNC(=S)N1CC1CCN(CC)CC1
InChIInChI=1S/C15H29N3S/c1-4-12(3)14-10-16-15(19)18(14)11-13-6-8-17(5-2)9-7-13/h12-14H,4-11H2,1-3H3,(H,16,19)/t12-,14+/m0/s1
InChIKeyFGSIBOPHHIQYLQ-GXTWGEPZSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one
CID 83248870
3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 176985470
4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane
CID 170613244
1-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64937578
3-[(1-ethylpiperidin-4-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83252942
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612
1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one
CID 115371072
5-butan-2-yl-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 79521849
(6S)-6-butan-2-yl-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 53299341
8-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 166461736
1,4-diethylpiperidine;ethane
CID 143709904
1-[(1-ethylpiperidin-4-yl)methyl]-N-propan-2-ylpiperidin-4-amine;molecular hydrogen
CID 166113030

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2S)-butan-2-yl]-1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione?
The IUPAC name of (5S)-5-[(2S)-butan-2-yl]-1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione (CID 46902190) is (5S)-5-[(2S)-butan-2-yl]-1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione.
What is the SMILES notation for (5S)-5-[(2S)-butan-2-yl]-1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione?
The canonical SMILES for (5S)-5-[(2S)-butan-2-yl]-1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione is CC[C@H](C)[C@H]1CNC(=S)N1CC1CCN(CC)CC1.
What is the InChIKey of (5S)-5-[(2S)-butan-2-yl]-1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione?
The InChIKey is FGSIBOPHHIQYLQ-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H29N3S/c1-4-12(3)14-10-16-15(19)18(14)11-13-6-8-17(5-2)9-7-13/h12-14H,4-11H2,1-3H3,(H,16,19)/t12-,14+/m0/s1.
What are the key properties of (5S)-5-[(2S)-butan-2-yl]-1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione?
(5S)-5-[(2S)-butan-2-yl]-1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione has a molecular weight of 283.48 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2S)-butan-2-yl]-1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione is sourced from PubChem (CID 46902190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).