2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid

C12H19N3O4S — CID 102690759

IUPAC2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CNS(=O)(=O)c2ccn[nH]2)CCCCC1
InChIInChI=1S/C12H19N3O4S/c16-11(17)8-12(5-2-1-3-6-12)9-14-20(18,19)10-4-7-13-15-10/h4,7,14H,1-3,5-6,8-9H2,(H,13,15)(H,16,17)
InChIKeyUGPIDDZRYBCKLU-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.11
Rot. Bonds6

About 2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid

2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid (PubChem CID 102690759) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid
PubChem CID102690759
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CNS(=O)(=O)c2ccn[nH]2)CCCCC1
InChIInChI=1S/C12H19N3O4S/c16-11(17)8-12(5-2-1-3-6-12)9-14-20(18,19)10-4-7-13-15-10/h4,7,14H,1-3,5-6,8-9H2,(H,13,15)(H,16,17)
InChIKeyUGPIDDZRYBCKLU-UHFFFAOYSA-N
XLogP1.11
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]methyl]cyclohexyl]acetic acid
CID 61660280
2-[1-[(1H-pyrazol-4-ylsulfonylamino)methyl]cyclohexyl]acetic acid
CID 61660281
2-[(1H-pyrazol-4-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 65880763
6-(1H-pyrazol-5-ylsulfonylamino)hexanoic acid
CID 102690634
1-(1H-pyrazol-5-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 102690675
4-ethyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 102690677
1-(1H-pyrazol-5-ylsulfonylamino)cycloheptane-1-carboxylic acid
CID 102690678
4-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 102690694
2-cyclohexyl-2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
CID 102690730
3-methyl-1-(1H-pyrazol-5-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 102690752
3-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-3-yl]propanoic acid
CID 102690762
4-methyl-4-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid
CID 102690768

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid (CID 102690759) is 2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid is O=C(O)CC1(CNS(=O)(=O)c2ccn[nH]2)CCCCC1.
What is the InChIKey of 2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid?
The InChIKey is UGPIDDZRYBCKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c16-11(17)8-12(5-2-1-3-6-12)9-14-20(18,19)10-4-7-13-15-10/h4,7,14H,1-3,5-6,8-9H2,(H,13,15)(H,16,17).
What are the key properties of 2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid?
2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid has a molecular weight of 301.37 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1H-pyrazol-5-ylsulfonylamino)methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 102690759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).