3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid

C9H18N2O4S — CID 63042574

IUPAC3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid
SMILESCN(C)S(=O)(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C9H18N2O4S/c1-11(2)16(14,15)10-8-5-3-4-7(6-8)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyDAJNAOGNDZASGR-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.03
Rot. Bonds4

About 3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid

3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 63042574) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid
PubChem CID63042574
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid
SMILESCN(C)S(=O)(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C9H18N2O4S/c1-11(2)16(14,15)10-8-5-3-4-7(6-8)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyDAJNAOGNDZASGR-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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Related Compounds

3-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carboxylic acid
CID 113636776
3-(3-Methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55261299
3-(Propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 57696947
4-Methylaminocyclohexane-2-carboxylic acid
CID 58669479
4-[(Diethylsulfamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 59334204
3-(Tert-butylamino)cyclohexane-1-carboxylic acid
CID 59805522
4-(Dimethylsulfamoylamino)cyclohexane-1-carboxylic acid
CID 60807925
3-(Butylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63041869
3-(3-Methylbutylamino)cyclohexane-1-carboxylic acid
CID 63042253
3-(Butylamino)cyclohexane-1-carboxylic acid
CID 63042450
3-(Methanesulfonamido)cyclohexane-1-carboxylic acid
CID 63044387
3-(Ethylamino)cyclohexane-1-carboxylic acid
CID 63044417

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid (CID 63042574) is 3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid is CN(C)S(=O)(=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is DAJNAOGNDZASGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-11(2)16(14,15)10-8-5-3-4-7(6-8)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid?
3-(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 3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).