1-(2-methoxyethyl)-3-(4-propylsulfonylpiperazin-1-yl)pyrrolidin-2-one

C14H27N3O4S — CID 91925737

IUPAC1-(2-methoxyethyl)-3-(4-propylsulfonylpiperazin-1-yl)pyrrolidin-2-one
SMILESCCCS(=O)(=O)N1CCN(C2CCN(CCOC)C2=O)CC1
InChIInChI=1S/C14H27N3O4S/c1-3-12-22(19,20)17-8-6-15(7-9-17)13-4-5-16(14(13)18)10-11-21-2/h13H,3-12H2,1-2H3
InChIKeyVTCPWSXJFZHJTO-UHFFFAOYSA-N
MW333.45 g/mol
LogP-0.41
Rot. Bonds7

About 1-(2-methoxyethyl)-3-(4-propylsulfonylpiperazin-1-yl)pyrrolidin-2-one

1-(2-methoxyethyl)-3-(4-propylsulfonylpiperazin-1-yl)pyrrolidin-2-one (PubChem CID 91925737) has the molecular formula C14H27N3O4S and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(4-propylsulfonylpiperazin-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(4-propylsulfonylpiperazin-1-yl)pyrrolidin-2-one
PubChem CID91925737
Molecular FormulaC14H27N3O4S
Molecular Weight333.45 g/mol
Exact Mass333.17
IUPAC Name1-(2-methoxyethyl)-3-(4-propylsulfonylpiperazin-1-yl)pyrrolidin-2-one
SMILESCCCS(=O)(=O)N1CCN(C2CCN(CCOC)C2=O)CC1
InChIInChI=1S/C14H27N3O4S/c1-3-12-22(19,20)17-8-6-15(7-9-17)13-4-5-16(14(13)18)10-11-21-2/h13H,3-12H2,1-2H3
InChIKeyVTCPWSXJFZHJTO-UHFFFAOYSA-N
XLogP-0.41
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyethyl)-3-(4-propylsulfonylpiperazin-1-yl)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

CID 91913088
CID 91913088
CID 91925764
CID 91925764
CID 168674726
CID 168674726
CID 168713120
CID 168713120
CID 168713130
CID 168713130
CID 168714840
CID 168714840
CID 24730494
CID 24730494
CID 15622809
CID 15622809
CID 15622810
CID 15622810
CID 15622811
CID 15622811
CID 58787222
CID 58787222
CID 69056359
CID 69056359

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(4-propylsulfonylpiperazin-1-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3-(4-propylsulfonylpiperazin-1-yl)pyrrolidin-2-one (CID 91925737) is 1-(2-methoxyethyl)-3-(4-propylsulfonylpiperazin-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(4-propylsulfonylpiperazin-1-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3-(4-propylsulfonylpiperazin-1-yl)pyrrolidin-2-one is CCCS(=O)(=O)N1CCN(C2CCN(CCOC)C2=O)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(4-propylsulfonylpiperazin-1-yl)pyrrolidin-2-one?
The InChIKey is VTCPWSXJFZHJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4S/c1-3-12-22(19,20)17-8-6-15(7-9-17)13-4-5-16(14(13)18)10-11-21-2/h13H,3-12H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-3-(4-propylsulfonylpiperazin-1-yl)pyrrolidin-2-one?
1-(2-methoxyethyl)-3-(4-propylsulfonylpiperazin-1-yl)pyrrolidin-2-one has a molecular weight of 333.45 g/mol, XLogP of -0.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(4-propylsulfonylpiperazin-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 91925737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).