2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid

C13H23NO5S — CID 60919907

IUPAC2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCS(=O)(=O)CCNC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H23NO5S/c1-20(18,19)8-7-14-11(15)9-13(10-12(16)17)5-3-2-4-6-13/h2-10H2,1H3,(H,14,15)(H,16,17)
InChIKeyDWRGBTXORZOTOY-UHFFFAOYSA-N
MW305.40 g/mol
LogP0.96
Rot. Bonds7

About 2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 60919907) has the molecular formula C13H23NO5S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID60919907
Molecular FormulaC13H23NO5S
Molecular Weight305.40 g/mol
Exact Mass305.13
IUPAC Name2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid
SMILESCS(=O)(=O)CCNC(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H23NO5S/c1-20(18,19)8-7-14-11(15)9-13(10-12(16)17)5-3-2-4-6-13/h2-10H2,1H3,(H,14,15)(H,16,17)
InChIKeyDWRGBTXORZOTOY-UHFFFAOYSA-N
XLogP0.96
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[2-(methanesulfonamido)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071499
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-[1-[2-[2-[methyl(propan-2-yl)amino]ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 62641050
2-[1-[2-[(5-amino-5-oxopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106234667
2-[1-[2-[3-[methyl(propan-2-yl)amino]propylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106032490
2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65108169
2-[1-[2-(2-cyclobutylethylamino)-2-oxoethyl]cyclopentyl]acetic acid
CID 115686502
2-[1-[2-(4-cyanobutylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 63297334
2-[1-[2-[3-(2-hydroxyethoxy)propylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106305125
2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071861
2-[1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexyl]acetic acid
CID 43235051
2-[1-[2-[(2-methoxy-2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 115696833

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid (CID 60919907) is 2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid is CS(=O)(=O)CCNC(=O)CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is DWRGBTXORZOTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5S/c1-20(18,19)8-7-14-11(15)9-13(10-12(16)17)5-3-2-4-6-13/h2-10H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 305.40 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methylsulfonylethylamino)-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 60919907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).