1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

C17H31N3O4S — CID 108568533

IUPAC1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCCS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C17H31N3O4S/c1-5-6-11-25(23,24)19-9-7-18(8-10-19)16(22)14-12-15(21)20(13-14)17(2,3)4/h14H,5-13H2,1-4H3
InChIKeyNLZHWKBFGBLCTL-UHFFFAOYSA-N
MW373.52 g/mol
LogP0.91
Rot. Bonds5

About 1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one

1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 108568533) has the molecular formula C17H31N3O4S and a molecular weight of 373.52 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID108568533
Molecular FormulaC17H31N3O4S
Molecular Weight373.52 g/mol
Exact Mass373.20
IUPAC Name1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCCS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C17H31N3O4S/c1-5-6-11-25(23,24)19-9-7-18(8-10-19)16(22)14-12-15(21)20(13-14)17(2,3)4/h14H,5-13H2,1-4H3
InChIKeyNLZHWKBFGBLCTL-UHFFFAOYSA-N
XLogP0.91
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one 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

1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108535451
1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110346153
1-tert-butyl-4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535462
1-tert-butyl-4-[4-(2-ethylbutanoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546262
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-4-(dimethylsulfamoylamino)piperidine
CID 108564837
1-tert-butyl-4-[4-(2-methoxyacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546277
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
CID 108556090
tert-butyl N-[3-[4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 108532932
1-(4-butylsulfonylpiperazin-1-yl)propan-1-one
CID 110817146
1-tert-butyl-4-butylsulfonylpiperazine
CID 113074851
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-cyclohexyl-N-ethylpiperidine-4-carboxamide
CID 17118971
4-[4-(3-bromobenzoyl)piperazine-1-carbonyl]-1-tert-butylpyrrolidin-2-one
CID 108534461

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 108568533) is 1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is CCCCS(=O)(=O)N1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1.
What is the InChIKey of 1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is NLZHWKBFGBLCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4S/c1-5-6-11-25(23,24)19-9-7-18(8-10-19)16(22)14-12-15(21)20(13-14)17(2,3)4/h14H,5-13H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 373.52 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 108568533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).