4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid

C12H22N2O4S — CID 79525053

IUPAC4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNS(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C12H22N2O4S/c15-12(16)11-5-3-10(4-6-11)9-13-19(17,18)14-7-1-2-8-14/h10-11,13H,1-9H2,(H,15,16)
InChIKeyQIDIFBKCDAIKJW-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.81
Rot. Bonds5

About 4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid

4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 79525053) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is 4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID79525053
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Name4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNS(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C12H22N2O4S/c15-12(16)11-5-3-10(4-6-11)9-13-19(17,18)14-7-1-2-8-14/h10-11,13H,1-9H2,(H,15,16)
InChIKeyQIDIFBKCDAIKJW-UHFFFAOYSA-N
XLogP0.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79526114
N-[(4-hydroxycyclohexyl)methyl]piperidine-1-sulfonamide
CID 114147060
1-[(4-hydroxycyclohexyl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 106120655
1-(cyclohexylmethylsulfamoyl)piperidine-3-carboxylic acid
CID 60858431
N-[(3-hydroxycyclopentyl)methyl]pyrrolidine-1-sulfonamide
CID 103270314
1-(oxolan-3-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 54937723
1-[(1-methylpyrrolidin-3-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 60859573
1-(2-cyclopentylethylsulfamoyl)piperidine-4-carboxylic acid
CID 60920685
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
1-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 81043165
4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526211

Frequently Asked Questions

What is the IUPAC name of 4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid (CID 79525053) is 4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CNS(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is QIDIFBKCDAIKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c15-12(16)11-5-3-10(4-6-11)9-13-19(17,18)14-7-1-2-8-14/h10-11,13H,1-9H2,(H,15,16).
What are the key properties of 4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid?
4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 290.38 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79525053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).