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

C11H21N3S — CID 45281017

IUPAC1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione
SMILESCCN1CCC(CN2CCNC2=S)CC1
InChIInChI=1S/C11H21N3S/c1-2-13-6-3-10(4-7-13)9-14-8-5-12-11(14)15/h10H,2-9H2,1H3,(H,12,15)
InChIKeyIGUJHFKYAQRQCL-UHFFFAOYSA-N
MW227.38 g/mol
LogP0.91
Rot. Bonds3

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

1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione (PubChem CID 45281017) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione
PubChem CID45281017
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione
SMILESCCN1CCC(CN2CCNC2=S)CC1
InChIInChI=1S/C11H21N3S/c1-2-13-6-3-10(4-7-13)9-14-8-5-12-11(14)15/h10H,2-9H2,1H3,(H,12,15)
InChIKeyIGUJHFKYAQRQCL-UHFFFAOYSA-N
XLogP0.91
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione?
The IUPAC name of 1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione (CID 45281017) is 1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione.
What is the SMILES notation for 1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione?
The canonical SMILES for 1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione is CCN1CCC(CN2CCNC2=S)CC1.
What is the InChIKey of 1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione?
The InChIKey is IGUJHFKYAQRQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-2-13-6-3-10(4-7-13)9-14-8-5-12-11(14)15/h10H,2-9H2,1H3,(H,12,15).
What are the key properties of 1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione?
1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione has a molecular weight of 227.38 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-4-yl)methyl]imidazolidine-2-thione is sourced from PubChem (CID 45281017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).