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

C15H29N3O4S — CID 91925764

IUPAC3-(4-butylsulfonylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCCCCS(=O)(=O)N1CCN(C2CCN(CCOC)C2=O)CC1
InChIInChI=1S/C15H29N3O4S/c1-3-4-13-23(20,21)18-9-7-16(8-10-18)14-5-6-17(15(14)19)11-12-22-2/h14H,3-13H2,1-2H3
InChIKeyBCPNZSHGGQIMKO-UHFFFAOYSA-N
MW347.48 g/mol
LogP-0.02
Rot. Bonds8

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

3-(4-butylsulfonylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 91925764) has the molecular formula C15H29N3O4S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3-(4-butylsulfonylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(4-butylsulfonylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID91925764
Molecular FormulaC15H29N3O4S
Molecular Weight347.48 g/mol
Exact Mass347.19
IUPAC Name3-(4-butylsulfonylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCCCCS(=O)(=O)N1CCN(C2CCN(CCOC)C2=O)CC1
InChIInChI=1S/C15H29N3O4S/c1-3-4-13-23(20,21)18-9-7-16(8-10-18)14-5-6-17(15(14)19)11-12-22-2/h14H,3-13H2,1-2H3
InChIKeyBCPNZSHGGQIMKO-UHFFFAOYSA-N
XLogP-0.02
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-butylsulfonylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 3-(4-butylsulfonylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one (CID 91925764) is 3-(4-butylsulfonylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(4-butylsulfonylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(4-butylsulfonylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one is CCCCS(=O)(=O)N1CCN(C2CCN(CCOC)C2=O)CC1.
What is the InChIKey of 3-(4-butylsulfonylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is BCPNZSHGGQIMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4S/c1-3-4-13-23(20,21)18-9-7-16(8-10-18)14-5-6-17(15(14)19)11-12-22-2/h14H,3-13H2,1-2H3.
What are the key properties of 3-(4-butylsulfonylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
3-(4-butylsulfonylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 347.48 g/mol, XLogP of -0.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylsulfonylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 91925764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).