1-[2-oxo-2-(sulfinoamino)ethyl]adamantane

C12H19NO3S — CID 123564830

IUPAC1-[2-oxo-2-(sulfinoamino)ethyl]adamantane
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NS(=O)O
InChIInChI=1S/C12H19NO3S/c14-11(13-17(15)16)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)(H,15,16)
InChIKeyGASDMDFENAKUIF-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.85
Rot. Bonds3

About 1-[2-oxo-2-(sulfinoamino)ethyl]adamantane

1-[2-oxo-2-(sulfinoamino)ethyl]adamantane (PubChem CID 123564830) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-[2-oxo-2-(sulfinoamino)ethyl]adamantane.

Molecular Properties

Compound Name1-[2-oxo-2-(sulfinoamino)ethyl]adamantane
PubChem CID123564830
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name1-[2-oxo-2-(sulfinoamino)ethyl]adamantane
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NS(=O)O
InChIInChI=1S/C12H19NO3S/c14-11(13-17(15)16)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)(H,15,16)
InChIKeyGASDMDFENAKUIF-UHFFFAOYSA-N
XLogP1.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-adamantyl)-N-oxidoacetamide
CID 2050150
N,2-bis(1-adamantyl)acetamide
CID 3906383
2-(1-adamantyl)-N-cyanoacetamide
CID 79194231
2-(1-adamantyl)-N-(4-iodobutyl)acetamide
CID 106846218
2-(1-adamantyl)-N-(2-chloroethyl)acetamide
CID 79986232
2-(1-adamantyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 51163037
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
2-(1-adamantyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79030779
2-(1-adamantyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 129376603
(2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-hydroxypropanoic acid
CID 51885575
(3S)-3-[[2-(1-adamantyl)acetyl]amino]butanoic acid
CID 51885616
2-(1-adamantyl)-N-(2-methoxyethoxy)acetamide
CID 79673564

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(sulfinoamino)ethyl]adamantane?
The IUPAC name of 1-[2-oxo-2-(sulfinoamino)ethyl]adamantane (CID 123564830) is 1-[2-oxo-2-(sulfinoamino)ethyl]adamantane.
What is the SMILES notation for 1-[2-oxo-2-(sulfinoamino)ethyl]adamantane?
The canonical SMILES for 1-[2-oxo-2-(sulfinoamino)ethyl]adamantane is O=C(CC12CC3CC(CC(C3)C1)C2)NS(=O)O.
What is the InChIKey of 1-[2-oxo-2-(sulfinoamino)ethyl]adamantane?
The InChIKey is GASDMDFENAKUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c14-11(13-17(15)16)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)(H,15,16).
What are the key properties of 1-[2-oxo-2-(sulfinoamino)ethyl]adamantane?
1-[2-oxo-2-(sulfinoamino)ethyl]adamantane has a molecular weight of 257.35 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(sulfinoamino)ethyl]adamantane is sourced from PubChem (CID 123564830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).