2-(cycloheptylsulfonylamino)acetic acid

C9H17NO4S — CID 22441691

IUPAC2-(cycloheptylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)C1CCCCCC1
InChIInChI=1S/C9H17NO4S/c11-9(12)7-10-15(13,14)8-5-3-1-2-4-6-8/h8,10H,1-7H2,(H,11,12)
InChIKeyZPIXNZYVIRFNFG-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.71
Rot. Bonds4

About 2-(cycloheptylsulfonylamino)acetic acid

2-(cycloheptylsulfonylamino)acetic acid (PubChem CID 22441691) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(cycloheptylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(cycloheptylsulfonylamino)acetic acid
PubChem CID22441691
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name2-(cycloheptylsulfonylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)C1CCCCCC1
InChIInChI=1S/C9H17NO4S/c11-9(12)7-10-15(13,14)8-5-3-1-2-4-6-8/h8,10H,1-7H2,(H,11,12)
InChIKeyZPIXNZYVIRFNFG-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorocyclohexyl)sulfonylamino]acetic acid
CID 175646570
N-(2-oxopropyl)cyclohexanesulfonamide
CID 64994168
2-(cyclohexylsulfonylamino)acetamide
CID 64591564
N-phenacylcyclohexanesulfonamide
CID 64993938
3-(cyclohexylsulfonylamino)-2,2-dimethylpropanoic acid
CID 115427537
1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443542
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclopentanesulfonamide
CID 110406941
2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid
CID 22441688
N-(4-hydroxybutyl)cyclohexanesulfonamide
CID 106843941
2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid
CID 64673131
2-[(cyclopentylsulfonylamino)methyl]butanoic acid
CID 105360867
methyl 3-(cyclohexylsulfonylamino)-2-hydroxypropanoate
CID 113356681

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylsulfonylamino)acetic acid?
The IUPAC name of 2-(cycloheptylsulfonylamino)acetic acid (CID 22441691) is 2-(cycloheptylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(cycloheptylsulfonylamino)acetic acid?
The canonical SMILES for 2-(cycloheptylsulfonylamino)acetic acid is O=C(O)CNS(=O)(=O)C1CCCCCC1.
What is the InChIKey of 2-(cycloheptylsulfonylamino)acetic acid?
The InChIKey is ZPIXNZYVIRFNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c11-9(12)7-10-15(13,14)8-5-3-1-2-4-6-8/h8,10H,1-7H2,(H,11,12).
What are the key properties of 2-(cycloheptylsulfonylamino)acetic acid?
2-(cycloheptylsulfonylamino)acetic acid has a molecular weight of 235.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylsulfonylamino)acetic acid is sourced from PubChem (CID 22441691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).