1-[1-(sulfamoylamino)ethyl]adamantane

C12H22N2O2S — CID 44614287

IUPAC1-[1-(sulfamoylamino)ethyl]adamantane
SMILESCC(NS(N)(=O)=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H22N2O2S/c1-8(14-17(13,15)16)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11,14H,2-7H2,1H3,(H2,13,15,16)
InChIKeyOMDIAIBBRYLREB-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.38
Rot. Bonds3

About 1-[1-(sulfamoylamino)ethyl]adamantane

1-[1-(sulfamoylamino)ethyl]adamantane (PubChem CID 44614287) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-[1-(sulfamoylamino)ethyl]adamantane.

Molecular Properties

Compound Name1-[1-(sulfamoylamino)ethyl]adamantane
PubChem CID44614287
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name1-[1-(sulfamoylamino)ethyl]adamantane
SMILESCC(NS(N)(=O)=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H22N2O2S/c1-8(14-17(13,15)16)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11,14H,2-7H2,1H3,(H2,13,15,16)
InChIKeyOMDIAIBBRYLREB-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(sulfamoylamino)ethyl]adamantane?
The IUPAC name of 1-[1-(sulfamoylamino)ethyl]adamantane (CID 44614287) is 1-[1-(sulfamoylamino)ethyl]adamantane.
What is the SMILES notation for 1-[1-(sulfamoylamino)ethyl]adamantane?
The canonical SMILES for 1-[1-(sulfamoylamino)ethyl]adamantane is CC(NS(N)(=O)=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[1-(sulfamoylamino)ethyl]adamantane?
The InChIKey is OMDIAIBBRYLREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-8(14-17(13,15)16)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11,14H,2-7H2,1H3,(H2,13,15,16).
What are the key properties of 1-[1-(sulfamoylamino)ethyl]adamantane?
1-[1-(sulfamoylamino)ethyl]adamantane has a molecular weight of 258.39 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(sulfamoylamino)ethyl]adamantane is sourced from PubChem (CID 44614287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).