2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid

C10H20N2O4S — CID 102627992

IUPAC2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid
SMILESCC1C(NS(N)(=O)=O)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C10H20N2O4S/c1-6-8(12-17(11,15)16)5-4-7(9(13)14)10(6,2)3/h6-8,12H,4-5H2,1-3H3,(H,13,14)(H2,11,15,16)
InChIKeyPSJXZBIEVBPRCZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.31
Rot. Bonds3

About 2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid

2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 102627992) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid
PubChem CID102627992
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid
SMILESCC1C(NS(N)(=O)=O)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C10H20N2O4S/c1-6-8(12-17(11,15)16)5-4-7(9(13)14)10(6,2)3/h6-8,12H,4-5H2,1-3H3,(H,13,14)(H2,11,15,16)
InChIKeyPSJXZBIEVBPRCZ-UHFFFAOYSA-N
XLogP0.31
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid (CID 102627992) is 2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid is CC1C(NS(N)(=O)=O)CCC(C(=O)O)C1(C)C.
What is the InChIKey of 2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is PSJXZBIEVBPRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-6-8(12-17(11,15)16)5-4-7(9(13)14)10(6,2)3/h6-8,12H,4-5H2,1-3H3,(H,13,14)(H2,11,15,16).
What are the key properties of 2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid?
2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 264.35 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 102627992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).