5-(ethylsulfamoylamino)-2-methylpentanoic acid

C8H18N2O4S — CID 114807097

IUPAC5-(ethylsulfamoylamino)-2-methylpentanoic acid
SMILESCCNS(=O)(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-3-9-15(13,14)10-6-4-5-7(2)8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyPVZGQODKGPXPKY-UHFFFAOYSA-N
MW238.31 g/mol
LogP-0.07
Rot. Bonds8

About 5-(ethylsulfamoylamino)-2-methylpentanoic acid

5-(ethylsulfamoylamino)-2-methylpentanoic acid (PubChem CID 114807097) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-(ethylsulfamoylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name5-(ethylsulfamoylamino)-2-methylpentanoic acid
PubChem CID114807097
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name5-(ethylsulfamoylamino)-2-methylpentanoic acid
SMILESCCNS(=O)(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C8H18N2O4S/c1-3-9-15(13,14)10-6-4-5-7(2)8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyPVZGQODKGPXPKY-UHFFFAOYSA-N
XLogP-0.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(methoxycarbonylsulfamoylamino)-2-methylpentanoic acid
CID 114463049
5-(1-cyanopropylsulfonylamino)-2-methylpentanoic acid
CID 104682866
2-methyl-5-(methylamino)pentanoic acid
CID 59942755
2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 104683008
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid
CID 104682966
5-(propylsulfamoylamino)pentan-2-ol
CID 106125663
5-(cyclohexylmethylsulfonylamino)-2-methylpentanoic acid
CID 104682974
4-(ethylamino)-2-methylbutanoic acid
CID 54099328
2-methyl-5-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 104682900
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
2-methyl-5-(3-sulfamoylpropylcarbamoylamino)pentanoic acid
CID 113441245
5-(butoxycarbonylamino)-2-methylpentanoic acid
CID 87521921

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoylamino)-2-methylpentanoic acid?
The IUPAC name of 5-(ethylsulfamoylamino)-2-methylpentanoic acid (CID 114807097) is 5-(ethylsulfamoylamino)-2-methylpentanoic acid.
What is the SMILES notation for 5-(ethylsulfamoylamino)-2-methylpentanoic acid?
The canonical SMILES for 5-(ethylsulfamoylamino)-2-methylpentanoic acid is CCNS(=O)(=O)NCCCC(C)C(=O)O.
What is the InChIKey of 5-(ethylsulfamoylamino)-2-methylpentanoic acid?
The InChIKey is PVZGQODKGPXPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-3-9-15(13,14)10-6-4-5-7(2)8(11)12/h7,9-10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 5-(ethylsulfamoylamino)-2-methylpentanoic acid?
5-(ethylsulfamoylamino)-2-methylpentanoic acid has a molecular weight of 238.31 g/mol, XLogP of -0.07, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoylamino)-2-methylpentanoic acid is sourced from PubChem (CID 114807097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).