4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid

C10H20N2O4S — CID 79526211

IUPAC4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCN(C)S(=O)(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H20N2O4S/c1-12(2)17(15,16)11-7-8-3-5-9(6-4-8)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyOMQZVBDMVODWRE-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.27
Rot. Bonds5

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

4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 79526211) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID79526211
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESCN(C)S(=O)(=O)NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H20N2O4S/c1-12(2)17(15,16)11-7-8-3-5-9(6-4-8)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyOMQZVBDMVODWRE-UHFFFAOYSA-N
XLogP0.27
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(pyrrolidin-1-ylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525053
4-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524896
4-[(benzylsulfonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525485
4-[[3-(dimethylamino)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964071
4-[[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 53496159
4-[(2-acetamidoethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532227
4-[[(5-bromo-3-methyltriazol-4-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 106466031
4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79526114
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
4-[[(4-iodophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79525486
4-[[(2,6-difluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 132971400
4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79524949

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid (CID 79526211) is 4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid is CN(C)S(=O)(=O)NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is OMQZVBDMVODWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-12(2)17(15,16)11-7-8-3-5-9(6-4-8)10(13)14/h8-9,11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid?
4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 264.35 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79526211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).