2-[cyclohexyl(ethylsulfonyl)amino]acetic acid

C10H19NO4S — CID 50849243

IUPAC2-[cyclohexyl(ethylsulfonyl)amino]acetic acid
SMILESCCS(=O)(=O)N(CC(=O)O)C1CCCCC1
InChIInChI=1S/C10H19NO4S/c1-2-16(14,15)11(8-10(12)13)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyPFPMQXDAQSAYPC-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.06
Rot. Bonds5

About 2-[cyclohexyl(ethylsulfonyl)amino]acetic acid

2-[cyclohexyl(ethylsulfonyl)amino]acetic acid (PubChem CID 50849243) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[cyclohexyl(ethylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclohexyl(ethylsulfonyl)amino]acetic acid
PubChem CID50849243
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-[cyclohexyl(ethylsulfonyl)amino]acetic acid
SMILESCCS(=O)(=O)N(CC(=O)O)C1CCCCC1
InChIInChI=1S/C10H19NO4S/c1-2-16(14,15)11(8-10(12)13)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyPFPMQXDAQSAYPC-UHFFFAOYSA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[cyclohexyl(ethylsulfonyl)amino]acetic acid (CID 50849243) is 2-[cyclohexyl(ethylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclohexyl(ethylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclohexyl(ethylsulfonyl)amino]acetic acid is CCS(=O)(=O)N(CC(=O)O)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethylsulfonyl)amino]acetic acid?
The InChIKey is PFPMQXDAQSAYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-2-16(14,15)11(8-10(12)13)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-[cyclohexyl(ethylsulfonyl)amino]acetic acid?
2-[cyclohexyl(ethylsulfonyl)amino]acetic acid has a molecular weight of 249.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethylsulfonyl)amino]acetic acid is sourced from PubChem (CID 50849243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).