1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone

C20H31N3O3S — CID 3338703

IUPAC1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCC3)C2C(C)C)cc1
InChIInChI=1S/C20H31N3O3S/c1-16(2)20-22(19(24)15-21-11-5-4-6-12-21)13-14-23(20)27(25,26)18-9-7-17(3)8-10-18/h7-10,16,20H,4-6,11-15H2,1-3H3
InChIKeyDXZRCZBWHAKMQL-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.30
Rot. Bonds5

About 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone

1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone (PubChem CID 3338703) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone
PubChem CID3338703
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCC3)C2C(C)C)cc1
InChIInChI=1S/C20H31N3O3S/c1-16(2)20-22(19(24)15-21-11-5-4-6-12-21)13-14-23(20)27(25,26)18-9-7-17(3)8-10-18/h7-10,16,20H,4-6,11-15H2,1-3H3
InChIKeyDXZRCZBWHAKMQL-UHFFFAOYSA-N
XLogP2.30
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone (CID 3338703) is 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCC3)C2C(C)C)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone?
The InChIKey is DXZRCZBWHAKMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-16(2)20-22(19(24)15-21-11-5-4-6-12-21)13-14-23(20)27(25,26)18-9-7-17(3)8-10-18/h7-10,16,20H,4-6,11-15H2,1-3H3.
What are the key properties of 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone?
1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone has a molecular weight of 393.55 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 3338703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).