2-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid

C12H19N3O4S — CID 61015172

IUPAC2-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
SMILESCn1cc(S(=O)(=O)NC(C(=O)O)C2CCCCC2)cn1
InChIInChI=1S/C12H19N3O4S/c1-15-8-10(7-13-15)20(18,19)14-11(12(16)17)9-5-3-2-4-6-9/h7-9,11,14H,2-6H2,1H3,(H,16,17)
InChIKeyDRMMNAFFEPWLHT-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.73
Rot. Bonds5

About 2-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid

2-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid (PubChem CID 61015172) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
PubChem CID61015172
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
SMILESCn1cc(S(=O)(=O)NC(C(=O)O)C2CCCCC2)cn1
InChIInChI=1S/C12H19N3O4S/c1-15-8-10(7-13-15)20(18,19)14-11(12(16)17)9-5-3-2-4-6-9/h7-9,11,14H,2-6H2,1H3,(H,16,17)
InChIKeyDRMMNAFFEPWLHT-UHFFFAOYSA-N
XLogP0.73
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid (CID 61015172) is 2-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid is Cn1cc(S(=O)(=O)NC(C(=O)O)C2CCCCC2)cn1.
What is the InChIKey of 2-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid?
The InChIKey is DRMMNAFFEPWLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-15-8-10(7-13-15)20(18,19)14-11(12(16)17)9-5-3-2-4-6-9/h7-9,11,14H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid?
2-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid has a molecular weight of 301.37 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 61015172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).