1-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]imidazolidin-2-one

C12H18N4O3S2 — CID 61299409

IUPAC1-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]imidazolidin-2-one
SMILESNc1csc(S(=O)(=O)N2CCC(N3CCNC3=O)CC2)c1
InChIInChI=1S/C12H18N4O3S2/c13-9-7-11(20-8-9)21(18,19)15-4-1-10(2-5-15)16-6-3-14-12(16)17/h7-8,10H,1-6,13H2,(H,14,17)
InChIKeyBVAGMPMEPJXDBR-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.51
Rot. Bonds3

About 1-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]imidazolidin-2-one

1-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]imidazolidin-2-one (PubChem CID 61299409) has the molecular formula C12H18N4O3S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]imidazolidin-2-one
PubChem CID61299409
Molecular FormulaC12H18N4O3S2
Molecular Weight330.44 g/mol
Exact Mass330.08
IUPAC Name1-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]imidazolidin-2-one
SMILESNc1csc(S(=O)(=O)N2CCC(N3CCNC3=O)CC2)c1
InChIInChI=1S/C12H18N4O3S2/c13-9-7-11(20-8-9)21(18,19)15-4-1-10(2-5-15)16-6-3-14-12(16)17/h7-8,10H,1-6,13H2,(H,14,17)
InChIKeyBVAGMPMEPJXDBR-UHFFFAOYSA-N
XLogP0.51
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]imidazolidin-2-one (CID 61299409) is 1-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]imidazolidin-2-one is Nc1csc(S(=O)(=O)N2CCC(N3CCNC3=O)CC2)c1.
What is the InChIKey of 1-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]imidazolidin-2-one?
The InChIKey is BVAGMPMEPJXDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S2/c13-9-7-11(20-8-9)21(18,19)15-4-1-10(2-5-15)16-6-3-14-12(16)17/h7-8,10H,1-6,13H2,(H,14,17).
What are the key properties of 1-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]imidazolidin-2-one?
1-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]imidazolidin-2-one has a molecular weight of 330.44 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 61299409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).