2-(cyclohexylmethylsulfamoyl)acetic acid

C9H17NO4S — CID 43362043

IUPAC2-(cyclohexylmethylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C9H17NO4S/c11-9(12)7-15(13,14)10-6-8-4-2-1-3-5-8/h8,10H,1-7H2,(H,11,12)
InChIKeyVDDWVQKDKJGUNZ-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.57
Rot. Bonds5

About 2-(cyclohexylmethylsulfamoyl)acetic acid

2-(cyclohexylmethylsulfamoyl)acetic acid (PubChem CID 43362043) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfamoyl)acetic acid
PubChem CID43362043
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name2-(cyclohexylmethylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C9H17NO4S/c11-9(12)7-15(13,14)10-6-8-4-2-1-3-5-8/h8,10H,1-7H2,(H,11,12)
InChIKeyVDDWVQKDKJGUNZ-UHFFFAOYSA-N
XLogP0.57
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

(4-Aminocyclohexyl)methanesulfonic acid;2,2,2-trifluoroacetic acid
CID 87232984
Amino(cyclohexyl)methanesulfonic acid;2,2,2-trifluoroacetic acid
CID 87254069
2-[[3-(Trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid
CID 43715479
3-[[3-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 43715482
2-[[4-(Trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid
CID 43715748
3-[[4-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 43715750
2-[[2-(Trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid
CID 43715764
3-[[2-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 43715768
3-[(2-Ethylhexyl)sulfamoyl]propanoic acid
CID 23461310
2-(3-Propylnonylsulfamoyl)acetic acid
CID 174164647
2-[(4-Methylcyclohexyl)sulfamoyl]acetic acid
CID 28773577
2-(6-Methylheptan-2-ylsulfamoyl)acetic acid
CID 43172996

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylsulfamoyl)acetic acid?
The IUPAC name of 2-(cyclohexylmethylsulfamoyl)acetic acid (CID 43362043) is 2-(cyclohexylmethylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(cyclohexylmethylsulfamoyl)acetic acid?
The canonical SMILES for 2-(cyclohexylmethylsulfamoyl)acetic acid is O=C(O)CS(=O)(=O)NCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethylsulfamoyl)acetic acid?
The InChIKey is VDDWVQKDKJGUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c11-9(12)7-15(13,14)10-6-8-4-2-1-3-5-8/h8,10H,1-7H2,(H,11,12).
What are the key properties of 2-(cyclohexylmethylsulfamoyl)acetic acid?
2-(cyclohexylmethylsulfamoyl)acetic acid has a molecular weight of 235.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfamoyl)acetic acid is sourced from PubChem (CID 43362043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).