1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid

C10H15N3O4S — CID 113311056

IUPAC1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCn1cc(S(=O)(=O)NCC2(C(=O)O)CCC2)cn1
InChIInChI=1S/C10H15N3O4S/c1-13-6-8(5-11-13)18(16,17)12-7-10(9(14)15)3-2-4-10/h5-6,12H,2-4,7H2,1H3,(H,14,15)
InChIKeyPCIZBZLVSWNDFM-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.05
Rot. Bonds5

About 1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid

1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 113311056) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID113311056
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCn1cc(S(=O)(=O)NCC2(C(=O)O)CCC2)cn1
InChIInChI=1S/C10H15N3O4S/c1-13-6-8(5-11-13)18(16,17)12-7-10(9(14)15)3-2-4-10/h5-6,12H,2-4,7H2,1H3,(H,14,15)
InChIKeyPCIZBZLVSWNDFM-UHFFFAOYSA-N
XLogP-0.05
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445410
1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
CID 113311051
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 71894825
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 115456681
1-methyl-N-[(1-morpholin-4-ylcyclobutyl)methyl]pyrazole-4-sulfonamide
CID 139028911
N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrazole-4-sulfonamide
CID 62521953
1-[[(4-iodophenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311052
1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309102
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361803
5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 62033979
N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide
CID 97075661

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid (CID 113311056) is 1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid is Cn1cc(S(=O)(=O)NCC2(C(=O)O)CCC2)cn1.
What is the InChIKey of 1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is PCIZBZLVSWNDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-13-6-8(5-11-13)18(16,17)12-7-10(9(14)15)3-2-4-10/h5-6,12H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 113311056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).