1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid

C11H21N3O5S — CID 61203572

IUPAC1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid
SMILESNS(=O)(=O)CCNC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C11H21N3O5S/c12-20(18,19)8-7-13-10(17)14-11(9(15)16)5-3-1-2-4-6-11/h1-8H2,(H,15,16)(H2,12,18,19)(H2,13,14,17)
InChIKeyUXQJPTGIBIKEPE-UHFFFAOYSA-N
MW307.37 g/mol
LogP-0.25
Rot. Bonds5

About 1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid

1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid (PubChem CID 61203572) has the molecular formula C11H21N3O5S and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid
PubChem CID61203572
Molecular FormulaC11H21N3O5S
Molecular Weight307.37 g/mol
Exact Mass307.12
IUPAC Name1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid
SMILESNS(=O)(=O)CCNC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C11H21N3O5S/c12-20(18,19)8-7-13-10(17)14-11(9(15)16)5-3-1-2-4-6-11/h1-8H2,(H,15,16)(H2,12,18,19)(H2,13,14,17)
InChIKeyUXQJPTGIBIKEPE-UHFFFAOYSA-N
XLogP-0.25
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61402688
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 62634646
1-[2-oxo-2-(2-sulfamoylethylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43552024
1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 29006529
1-(2-cyclobutylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113364347
1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61299743
1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 106239374
1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 29006531
1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62635853
1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103995625
1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61191866
1-(hept-6-enylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 107006348

Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid (CID 61203572) is 1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid is NS(=O)(=O)CCNC(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid?
The InChIKey is UXQJPTGIBIKEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5S/c12-20(18,19)8-7-13-10(17)14-11(9(15)16)5-3-1-2-4-6-11/h1-8H2,(H,15,16)(H2,12,18,19)(H2,13,14,17).
What are the key properties of 1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid?
1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid has a molecular weight of 307.37 g/mol, XLogP of -0.25, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 61203572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).