1-(sulfinatoamino)adamantane

C10H16NO2S- — CID 57193235

IUPAC1-(sulfinatoamino)adamantane
SMILESO=S([O-])NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17NO2S/c12-14(13)11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2,(H,12,13)/p-1
InChIKeyKZKGRSZBWCYTOP-UHFFFAOYSA-M
MW214.31 g/mol
LogP1.34
Rot. Bonds2

About 1-(sulfinatoamino)adamantane

1-(sulfinatoamino)adamantane (PubChem CID 57193235) has the molecular formula C10H16NO2S- and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(sulfinatoamino)adamantane.

Molecular Properties

Compound Name1-(sulfinatoamino)adamantane
PubChem CID57193235
Molecular FormulaC10H16NO2S-
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name1-(sulfinatoamino)adamantane
SMILESO=S([O-])NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C10H17NO2S/c12-14(13)11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2,(H,12,13)/p-1
InChIKeyKZKGRSZBWCYTOP-UHFFFAOYSA-M
XLogP1.34
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(sulfinatoamino)adamantane?
The IUPAC name of 1-(sulfinatoamino)adamantane (CID 57193235) is 1-(sulfinatoamino)adamantane.
What is the SMILES notation for 1-(sulfinatoamino)adamantane?
The canonical SMILES for 1-(sulfinatoamino)adamantane is O=S([O-])NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(sulfinatoamino)adamantane?
The InChIKey is KZKGRSZBWCYTOP-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H17NO2S/c12-14(13)11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2,(H,12,13)/p-1.
What are the key properties of 1-(sulfinatoamino)adamantane?
1-(sulfinatoamino)adamantane has a molecular weight of 214.31 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfinatoamino)adamantane is sourced from PubChem (CID 57193235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).