2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid

C12H23NO4S — CID 103965500

IUPAC2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid
SMILESCC1(C)CC(NS(=O)(=O)CC(=O)O)CC(C)(C)C1
InChIInChI=1S/C12H23NO4S/c1-11(2)5-9(6-12(3,4)8-11)13-18(16,17)7-10(14)15/h9,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyMXIZSMQHJJOSGF-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.60
Rot. Bonds4

About 2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid

2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid (PubChem CID 103965500) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid
PubChem CID103965500
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid
SMILESCC1(C)CC(NS(=O)(=O)CC(=O)O)CC(C)(C)C1
InChIInChI=1S/C12H23NO4S/c1-11(2)5-9(6-12(3,4)8-11)13-18(16,17)7-10(14)15/h9,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyMXIZSMQHJJOSGF-UHFFFAOYSA-N
XLogP1.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]butanoate
CID 115919099
2-(azetidin-3-ylsulfamoyl)acetic acid
CID 66188177
3-(methylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-1-sulfonamide
CID 106077359
4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)butane-1-sulfonamide
CID 116816465
3-oxo-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103968332
3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 112681935
3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
CID 103966570
2-[(1,1-dioxothian-3-yl)sulfamoyl]acetic acid
CID 63924683
2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103966158
3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]propanoic acid
CID 103968112
1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
CID 106077364
3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
CID 107034267

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid (CID 103965500) is 2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid is CC1(C)CC(NS(=O)(=O)CC(=O)O)CC(C)(C)C1.
What is the InChIKey of 2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid?
The InChIKey is MXIZSMQHJJOSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-11(2)5-9(6-12(3,4)8-11)13-18(16,17)7-10(14)15/h9,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid?
2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid has a molecular weight of 277.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3,5,5-tetramethylcyclohexyl)sulfamoyl]acetic acid is sourced from PubChem (CID 103965500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).