[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone

C18H25N3O4S2 — CID 31939799

IUPAC[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1C(=O)c1cccs1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H25N3O4S2/c22-17(15-3-1-6-21(15)18(23)16-4-2-11-26-16)20-9-7-19(8-10-20)14-5-12-27(24,25)13-14/h2,4,11,14-15H,1,3,5-10,12-13H2/t14-,15-/m1/s1
InChIKeyGVJSUOYVVSKFLS-HUUCEWRRSA-N
MW411.55 g/mol
LogP0.68
Rot. Bonds3

About [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone

[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone (PubChem CID 31939799) has the molecular formula C18H25N3O4S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
PubChem CID31939799
Molecular FormulaC18H25N3O4S2
Molecular Weight411.55 g/mol
Exact Mass411.13
IUPAC Name[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1C(=O)c1cccs1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C18H25N3O4S2/c22-17(15-3-1-6-21(15)18(23)16-4-2-11-26-16)20-9-7-19(8-10-20)14-5-12-27(24,25)13-14/h2,4,11,14-15H,1,3,5-10,12-13H2/t14-,15-/m1/s1
InChIKeyGVJSUOYVVSKFLS-HUUCEWRRSA-N
XLogP0.68
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 51148177
1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione
CID 55936595
2,2,2-trifluoro-1-[2-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110346944
1-piperidin-1-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]propan-1-one
CID 86890935
1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 119167862
1,4-diazepan-1-yl-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 119414809
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 2537042
[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 24675829
[4-(1-aminoethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119517343
3-methyl-1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119257459
[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 46517348
[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 55938334

Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone?
The IUPAC name of [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone (CID 31939799) is [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone is O=C([C@H]1CCCN1C(=O)c1cccs1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone?
The InChIKey is GVJSUOYVVSKFLS-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H25N3O4S2/c22-17(15-3-1-6-21(15)18(23)16-4-2-11-26-16)20-9-7-19(8-10-20)14-5-12-27(24,25)13-14/h2,4,11,14-15H,1,3,5-10,12-13H2/t14-,15-/m1/s1.
What are the key properties of [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone?
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone has a molecular weight of 411.55 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 31939799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).