2-(1-adamantylmethylsulfamoyl)acetic acid

C13H21NO4S — CID 43173102

IUPAC2-(1-adamantylmethylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO4S/c15-12(16)7-19(17,18)14-8-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11,14H,1-8H2,(H,15,16)
InChIKeyKJRIOYUKIVBRPR-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.21
Rot. Bonds5

About 2-(1-adamantylmethylsulfamoyl)acetic acid

2-(1-adamantylmethylsulfamoyl)acetic acid (PubChem CID 43173102) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(1-adamantylmethylsulfamoyl)acetic acid.

Molecular Properties

Compound Name2-(1-adamantylmethylsulfamoyl)acetic acid
PubChem CID43173102
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name2-(1-adamantylmethylsulfamoyl)acetic acid
SMILESO=C(O)CS(=O)(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H21NO4S/c15-12(16)7-19(17,18)14-8-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11,14H,1-8H2,(H,15,16)
InChIKeyKJRIOYUKIVBRPR-UHFFFAOYSA-N
XLogP1.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethylsulfamoyl)acetic acid?
The IUPAC name of 2-(1-adamantylmethylsulfamoyl)acetic acid (CID 43173102) is 2-(1-adamantylmethylsulfamoyl)acetic acid.
What is the SMILES notation for 2-(1-adamantylmethylsulfamoyl)acetic acid?
The canonical SMILES for 2-(1-adamantylmethylsulfamoyl)acetic acid is O=C(O)CS(=O)(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantylmethylsulfamoyl)acetic acid?
The InChIKey is KJRIOYUKIVBRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c15-12(16)7-19(17,18)14-8-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11,14H,1-8H2,(H,15,16).
What are the key properties of 2-(1-adamantylmethylsulfamoyl)acetic acid?
2-(1-adamantylmethylsulfamoyl)acetic acid has a molecular weight of 287.38 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethylsulfamoyl)acetic acid is sourced from PubChem (CID 43173102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).