1-(dimethylsulfamoylamino)cycloheptane-1-carboxylic acid

C10H20N2O4S — CID 43163332

IUPAC1-(dimethylsulfamoylamino)cycloheptane-1-carboxylic acid
SMILESCN(C)S(=O)(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C10H20N2O4S/c1-12(2)17(15,16)11-10(9(13)14)7-5-3-4-6-8-10/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyQONXCZSMSDMCIJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.56
Rot. Bonds4

About 1-(dimethylsulfamoylamino)cycloheptane-1-carboxylic acid

1-(dimethylsulfamoylamino)cycloheptane-1-carboxylic acid (PubChem CID 43163332) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)cycloheptane-1-carboxylic acid
PubChem CID43163332
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name1-(dimethylsulfamoylamino)cycloheptane-1-carboxylic acid
SMILESCN(C)S(=O)(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C10H20N2O4S/c1-12(2)17(15,16)11-10(9(13)14)7-5-3-4-6-8-10/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyQONXCZSMSDMCIJ-UHFFFAOYSA-N
XLogP0.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(dimethylsulfamoylamino)cycloheptane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(dimethylsulfamoylamino)cycloheptane-1-carboxylic acid (CID 43163332) is 1-(dimethylsulfamoylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(dimethylsulfamoylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(dimethylsulfamoylamino)cycloheptane-1-carboxylic acid is CN(C)S(=O)(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-(dimethylsulfamoylamino)cycloheptane-1-carboxylic acid?
The InChIKey is QONXCZSMSDMCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-12(2)17(15,16)11-10(9(13)14)7-5-3-4-6-8-10/h11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-(dimethylsulfamoylamino)cycloheptane-1-carboxylic acid?
1-(dimethylsulfamoylamino)cycloheptane-1-carboxylic acid has a molecular weight of 264.35 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43163332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).