4-methyl-1,3-bis(piperidin-1-ylsulfanyl)imidazolidin-2-one

C14H26N4OS2 — CID 21418004

IUPAC4-methyl-1,3-bis(piperidin-1-ylsulfanyl)imidazolidin-2-one
SMILESCC1CN(SN2CCCCC2)C(=O)N1SN1CCCCC1
InChIInChI=1S/C14H26N4OS2/c1-13-12-17(20-15-8-4-2-5-9-15)14(19)18(13)21-16-10-6-3-7-11-16/h13H,2-12H2,1H3
InChIKeyREUDTTBRRJUVJK-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.21
Rot. Bonds4

About 4-methyl-1,3-bis(piperidin-1-ylsulfanyl)imidazolidin-2-one

4-methyl-1,3-bis(piperidin-1-ylsulfanyl)imidazolidin-2-one (PubChem CID 21418004) has the molecular formula C14H26N4OS2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 4-methyl-1,3-bis(piperidin-1-ylsulfanyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-methyl-1,3-bis(piperidin-1-ylsulfanyl)imidazolidin-2-one
PubChem CID21418004
Molecular FormulaC14H26N4OS2
Molecular Weight330.52 g/mol
Exact Mass330.15
IUPAC Name4-methyl-1,3-bis(piperidin-1-ylsulfanyl)imidazolidin-2-one
SMILESCC1CN(SN2CCCCC2)C(=O)N1SN1CCCCC1
InChIInChI=1S/C14H26N4OS2/c1-13-12-17(20-15-8-4-2-5-9-15)14(19)18(13)21-16-10-6-3-7-11-16/h13H,2-12H2,1H3
InChIKeyREUDTTBRRJUVJK-UHFFFAOYSA-N
XLogP3.21
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-bis(piperidin-1-ylsulfanyl)imidazolidin-2-one?
The IUPAC name of 4-methyl-1,3-bis(piperidin-1-ylsulfanyl)imidazolidin-2-one (CID 21418004) is 4-methyl-1,3-bis(piperidin-1-ylsulfanyl)imidazolidin-2-one.
What is the SMILES notation for 4-methyl-1,3-bis(piperidin-1-ylsulfanyl)imidazolidin-2-one?
The canonical SMILES for 4-methyl-1,3-bis(piperidin-1-ylsulfanyl)imidazolidin-2-one is CC1CN(SN2CCCCC2)C(=O)N1SN1CCCCC1.
What is the InChIKey of 4-methyl-1,3-bis(piperidin-1-ylsulfanyl)imidazolidin-2-one?
The InChIKey is REUDTTBRRJUVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS2/c1-13-12-17(20-15-8-4-2-5-9-15)14(19)18(13)21-16-10-6-3-7-11-16/h13H,2-12H2,1H3.
What are the key properties of 4-methyl-1,3-bis(piperidin-1-ylsulfanyl)imidazolidin-2-one?
4-methyl-1,3-bis(piperidin-1-ylsulfanyl)imidazolidin-2-one has a molecular weight of 330.52 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-bis(piperidin-1-ylsulfanyl)imidazolidin-2-one is sourced from PubChem (CID 21418004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).