2-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]butanoic acid

C9H15N3O4S — CID 104709664

IUPAC2-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]butanoic acid
SMILESCCC(CNS(=O)(=O)c1ccnn1C)C(=O)O
InChIInChI=1S/C9H15N3O4S/c1-3-7(9(13)14)6-11-17(15,16)8-4-5-10-12(8)2/h4-5,7,11H,3,6H2,1-2H3,(H,13,14)
InChIKeyCUYSUIDVDPBUGD-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.19
Rot. Bonds6

About 2-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]butanoic acid

2-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]butanoic acid (PubChem CID 104709664) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]butanoic acid
PubChem CID104709664
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name2-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]butanoic acid
SMILESCCC(CNS(=O)(=O)c1ccnn1C)C(=O)O
InChIInChI=1S/C9H15N3O4S/c1-3-7(9(13)14)6-11-17(15,16)8-4-5-10-12(8)2/h4-5,7,11H,3,6H2,1-2H3,(H,13,14)
InChIKeyCUYSUIDVDPBUGD-UHFFFAOYSA-N
XLogP-0.19
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]butanoic acid?
The IUPAC name of 2-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]butanoic acid (CID 104709664) is 2-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]butanoic acid?
The canonical SMILES for 2-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]butanoic acid is CCC(CNS(=O)(=O)c1ccnn1C)C(=O)O.
What is the InChIKey of 2-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]butanoic acid?
The InChIKey is CUYSUIDVDPBUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-3-7(9(13)14)6-11-17(15,16)8-4-5-10-12(8)2/h4-5,7,11H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 2-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]butanoic acid?
2-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]butanoic acid has a molecular weight of 261.30 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]butanoic acid is sourced from PubChem (CID 104709664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).