4-methyl-4-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid

C9H15N3O4S — CID 102690768

IUPAC4-methyl-4-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O4S/c1-9(2,5-3-8(13)14)12-17(15,16)7-4-6-10-11-7/h4,6,12H,3,5H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyDSOFEZNIXMUHGQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP0.33
Rot. Bonds6

About 4-methyl-4-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid

4-methyl-4-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid (PubChem CID 102690768) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-methyl-4-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid
PubChem CID102690768
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name4-methyl-4-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O4S/c1-9(2,5-3-8(13)14)12-17(15,16)7-4-6-10-11-7/h4,6,12H,3,5H2,1-2H3,(H,10,11)(H,13,14)
InChIKeyDSOFEZNIXMUHGQ-UHFFFAOYSA-N
XLogP0.33
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid?
The IUPAC name of 4-methyl-4-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid (CID 102690768) is 4-methyl-4-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid?
The canonical SMILES for 4-methyl-4-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid is CC(C)(CCC(=O)O)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 4-methyl-4-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid?
The InChIKey is DSOFEZNIXMUHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-9(2,5-3-8(13)14)12-17(15,16)7-4-6-10-11-7/h4,6,12H,3,5H2,1-2H3,(H,10,11)(H,13,14).
What are the key properties of 4-methyl-4-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid?
4-methyl-4-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid has a molecular weight of 261.30 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid is sourced from PubChem (CID 102690768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).