2-[1-(sulfamoylamino)cyclohexyl]acetic acid

C8H16N2O4S — CID 114958917

IUPAC2-[1-(sulfamoylamino)cyclohexyl]acetic acid
SMILESNS(=O)(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C8H16N2O4S/c9-15(13,14)10-8(6-7(11)12)4-2-1-3-5-8/h10H,1-6H2,(H,11,12)(H2,9,13,14)
InChIKeyMRLUBEHAXJVRPB-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.04
Rot. Bonds4

About 2-[1-(sulfamoylamino)cyclohexyl]acetic acid

2-[1-(sulfamoylamino)cyclohexyl]acetic acid (PubChem CID 114958917) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[1-(sulfamoylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(sulfamoylamino)cyclohexyl]acetic acid
PubChem CID114958917
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-[1-(sulfamoylamino)cyclohexyl]acetic acid
SMILESNS(=O)(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C8H16N2O4S/c9-15(13,14)10-8(6-7(11)12)4-2-1-3-5-8/h10H,1-6H2,(H,11,12)(H2,9,13,14)
InChIKeyMRLUBEHAXJVRPB-UHFFFAOYSA-N
XLogP-0.04
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-(sulfamoylamino)cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(dimethylsulfamoylamino)cyclohexyl]acetic acid
CID 64700173
2-[1-(methylsulfamoylamino)cyclobutyl]acetic acid
CID 114806665
2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid
CID 64673131
2-[1-(ethoxycarbonylsulfamoylamino)cyclopentyl]acetic acid
CID 114462754
2-[1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclohexyl]acetic acid
CID 64699783
2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid
CID 64699977
2-[1-[(4-iodophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64700171
2-[1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclobutyl]acetic acid
CID 79846527
2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid
CID 64685700
2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64672752
2-[1-(2-methoxyethylsulfonylamino)cyclobutyl]acetic acid
CID 79846124
2-[1-[(3-chlorophenyl)sulfonylamino]cyclohexyl]acetic acid
CID 64701151

Frequently Asked Questions

What is the IUPAC name of 2-[1-(sulfamoylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(sulfamoylamino)cyclohexyl]acetic acid (CID 114958917) is 2-[1-(sulfamoylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(sulfamoylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(sulfamoylamino)cyclohexyl]acetic acid is NS(=O)(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-(sulfamoylamino)cyclohexyl]acetic acid?
The InChIKey is MRLUBEHAXJVRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c9-15(13,14)10-8(6-7(11)12)4-2-1-3-5-8/h10H,1-6H2,(H,11,12)(H2,9,13,14).
What are the key properties of 2-[1-(sulfamoylamino)cyclohexyl]acetic acid?
2-[1-(sulfamoylamino)cyclohexyl]acetic acid has a molecular weight of 236.29 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(sulfamoylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 114958917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).