4-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid

C9H18N2O4S — CID 60807925

IUPAC4-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid
SMILESCN(C)S(=O)(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C9H18N2O4S/c1-11(2)16(14,15)10-8-5-3-7(4-6-8)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyPIXHELCZMZFGRL-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.03
Rot. Bonds4

About 4-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid

4-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 60807925) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid
PubChem CID60807925
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name4-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid
SMILESCN(C)S(=O)(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C9H18N2O4S/c1-11(2)16(14,15)10-8-5-3-7(4-6-8)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyPIXHELCZMZFGRL-UHFFFAOYSA-N
XLogP0.03
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid (CID 60807925) is 4-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid is CN(C)S(=O)(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is PIXHELCZMZFGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-11(2)16(14,15)10-8-5-3-7(4-6-8)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 4-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid?
4-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 250.32 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60807925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).