4-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one

C16H21N3O2S — CID 70786798

IUPAC4-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one
SMILESCc1ccccc1SC1CCN(C(=O)C2CNC(=O)N2)CC1
InChIInChI=1S/C16H21N3O2S/c1-11-4-2-3-5-14(11)22-12-6-8-19(9-7-12)15(20)13-10-17-16(21)18-13/h2-5,12-13H,6-10H2,1H3,(H2,17,18,21)
InChIKeyMVTCSAGIMCPXKE-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.76
Rot. Bonds3

About 4-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one

4-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one (PubChem CID 70786798) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one
PubChem CID70786798
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name4-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one
SMILESCc1ccccc1SC1CCN(C(=O)C2CNC(=O)N2)CC1
InChIInChI=1S/C16H21N3O2S/c1-11-4-2-3-5-14(11)22-12-6-8-19(9-7-12)15(20)13-10-17-16(21)18-13/h2-5,12-13H,6-10H2,1H3,(H2,17,18,21)
InChIKeyMVTCSAGIMCPXKE-UHFFFAOYSA-N
XLogP1.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one?
The IUPAC name of 4-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one (CID 70786798) is 4-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one.
What is the SMILES notation for 4-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one?
The canonical SMILES for 4-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one is Cc1ccccc1SC1CCN(C(=O)C2CNC(=O)N2)CC1.
What is the InChIKey of 4-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one?
The InChIKey is MVTCSAGIMCPXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-4-2-3-5-14(11)22-12-6-8-19(9-7-12)15(20)13-10-17-16(21)18-13/h2-5,12-13H,6-10H2,1H3,(H2,17,18,21).
What are the key properties of 4-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one?
4-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one has a molecular weight of 319.43 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one is sourced from PubChem (CID 70786798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).