2-[(3-methylcyclohexyl)sulfamoyl]acetic acid

C9H17NO4S — CID 43317815

IUPAC2-[(3-methylcyclohexyl)sulfamoyl]acetic acid
SMILESCC1CCCC(NS(=O)(=O)CC(=O)O)C1
InChIInChI=1S/C9H17NO4S/c1-7-3-2-4-8(5-7)10-15(13,14)6-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyIKNLLNQRHFHAAN-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.57
Rot. Bonds4

About 2-[(3-methylcyclohexyl)sulfamoyl]acetic acid

2-[(3-methylcyclohexyl)sulfamoyl]acetic acid (PubChem CID 43317815) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-[(3-methylcyclohexyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(3-methylcyclohexyl)sulfamoyl]acetic acid
PubChem CID43317815
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name2-[(3-methylcyclohexyl)sulfamoyl]acetic acid
SMILESCC1CCCC(NS(=O)(=O)CC(=O)O)C1
InChIInChI=1S/C9H17NO4S/c1-7-3-2-4-8(5-7)10-15(13,14)6-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyIKNLLNQRHFHAAN-UHFFFAOYSA-N
XLogP0.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclohexyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(3-methylcyclohexyl)sulfamoyl]acetic acid (CID 43317815) is 2-[(3-methylcyclohexyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(3-methylcyclohexyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(3-methylcyclohexyl)sulfamoyl]acetic acid is CC1CCCC(NS(=O)(=O)CC(=O)O)C1.
What is the InChIKey of 2-[(3-methylcyclohexyl)sulfamoyl]acetic acid?
The InChIKey is IKNLLNQRHFHAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-7-3-2-4-8(5-7)10-15(13,14)6-9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-[(3-methylcyclohexyl)sulfamoyl]acetic acid?
2-[(3-methylcyclohexyl)sulfamoyl]acetic acid has a molecular weight of 235.30 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclohexyl)sulfamoyl]acetic acid is sourced from PubChem (CID 43317815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).