2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid

C10H21NO4S — CID 65098353

IUPAC2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid
SMILESCCS(=O)(=O)CCCN(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H21NO4S/c1-5-16(14,15)8-6-7-11(4)10(2,3)9(12)13/h5-8H2,1-4H3,(H,12,13)
InChIKeyJOORHWXKSMQEAL-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.61
Rot. Bonds7

About 2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid

2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 65098353) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid
PubChem CID65098353
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid
SMILESCCS(=O)(=O)CCCN(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H21NO4S/c1-5-16(14,15)8-6-7-11(4)10(2,3)9(12)13/h5-8H2,1-4H3,(H,12,13)
InChIKeyJOORHWXKSMQEAL-UHFFFAOYSA-N
XLogP0.61
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid (CID 65098353) is 2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid is CCS(=O)(=O)CCCN(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is JOORHWXKSMQEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-5-16(14,15)8-6-7-11(4)10(2,3)9(12)13/h5-8H2,1-4H3,(H,12,13).
What are the key properties of 2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid?
2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 251.35 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65098353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).