3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one

C12H23N3OS — CID 116982267

IUPAC3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one
SMILESCN1CCC(C2CN(CCS)C(=O)N2C)CC1
InChIInChI=1S/C12H23N3OS/c1-13-5-3-10(4-6-13)11-9-15(7-8-17)12(16)14(11)2/h10-11,17H,3-9H2,1-2H3
InChIKeyFBCCPQRQTDQGSK-UHFFFAOYSA-N
MW257.40 g/mol
LogP0.99
Rot. Bonds3

About 3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one

3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one (PubChem CID 116982267) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one
PubChem CID116982267
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one
SMILESCN1CCC(C2CN(CCS)C(=O)N2C)CC1
InChIInChI=1S/C12H23N3OS/c1-13-5-3-10(4-6-13)11-9-15(7-8-17)12(16)14(11)2/h10-11,17H,3-9H2,1-2H3
InChIKeyFBCCPQRQTDQGSK-UHFFFAOYSA-N
XLogP0.99
TPSA26.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one?
The IUPAC name of 3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one (CID 116982267) is 3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one.
What is the SMILES notation for 3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one?
The canonical SMILES for 3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one is CN1CCC(C2CN(CCS)C(=O)N2C)CC1.
What is the InChIKey of 3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one?
The InChIKey is FBCCPQRQTDQGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-13-5-3-10(4-6-13)11-9-15(7-8-17)12(16)14(11)2/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one?
3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one has a molecular weight of 257.40 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylpiperidin-4-yl)-1-(2-sulfanylethyl)imidazolidin-2-one is sourced from PubChem (CID 116982267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).