2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid

C11H18N2O5S — CID 105360846

IUPAC2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid
SMILESO=C(O)CC1C(=O)NCCN1S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H18N2O5S/c14-10(15)7-9-11(16)12-5-6-13(9)19(17,18)8-3-1-2-4-8/h8-9H,1-7H2,(H,12,16)(H,14,15)
InChIKeyJBZWHBJOORAIQW-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.47
Rot. Bonds4

About 2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid

2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid (PubChem CID 105360846) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid
PubChem CID105360846
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid
SMILESO=C(O)CC1C(=O)NCCN1S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H18N2O5S/c14-10(15)7-9-11(16)12-5-6-13(9)19(17,18)8-3-1-2-4-8/h8-9H,1-7H2,(H,12,16)(H,14,15)
InChIKeyJBZWHBJOORAIQW-UHFFFAOYSA-N
XLogP-0.47
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentylsulfonyl-3-ethylpiperazin-2-one
CID 115617335
2-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 80577422
2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid
CID 62034595
2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 104709647
2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 66756006
4-(1,1-dioxothian-4-yl)sulfonyl-3-ethylpiperazin-2-one
CID 63601892
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid
CID 103298814
2-[1-(1-methylpyrrolidin-3-yl)-3-oxopiperazin-2-yl]acetic acid
CID 65071259
2-[1-[2-(carbamoylamino)ethylcarbamoyl]-3-oxopiperazin-2-yl]acetic acid
CID 83114279
2-[1-(2-chloroprop-2-enylcarbamoyl)-3-oxopiperazin-2-yl]acetic acid
CID 113464816
2-[1-(1-aminocyclopropanecarbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 65458641
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid
CID 2756051

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid?
The IUPAC name of 2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid (CID 105360846) is 2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid is O=C(O)CC1C(=O)NCCN1S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid?
The InChIKey is JBZWHBJOORAIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c14-10(15)7-9-11(16)12-5-6-13(9)19(17,18)8-3-1-2-4-8/h8-9H,1-7H2,(H,12,16)(H,14,15).
What are the key properties of 2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid?
2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid has a molecular weight of 290.34 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid is sourced from PubChem (CID 105360846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).