N-(1-adamantyl)-2-sulfanylacetamide

C12H19NOS — CID 584968

IUPACN-(1-adamantyl)-2-sulfanylacetamide
SMILESO=C(CS)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19NOS/c14-11(7-15)13-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,15H,1-7H2,(H,13,14)
InChIKeyISXVIFREDSNTMX-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.00
Rot. Bonds2

About N-(1-adamantyl)-2-sulfanylacetamide

N-(1-adamantyl)-2-sulfanylacetamide (PubChem CID 584968) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(1-adamantyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-sulfanylacetamide
PubChem CID584968
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-(1-adamantyl)-2-sulfanylacetamide
SMILESO=C(CS)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19NOS/c14-11(7-15)13-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,15H,1-7H2,(H,13,14)
InChIKeyISXVIFREDSNTMX-UHFFFAOYSA-N
XLogP2.00
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-sulfanylacetamide?
The IUPAC name of N-(1-adamantyl)-2-sulfanylacetamide (CID 584968) is N-(1-adamantyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(1-adamantyl)-2-sulfanylacetamide?
The canonical SMILES for N-(1-adamantyl)-2-sulfanylacetamide is O=C(CS)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-sulfanylacetamide?
The InChIKey is ISXVIFREDSNTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c14-11(7-15)13-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,15H,1-7H2,(H,13,14).
What are the key properties of N-(1-adamantyl)-2-sulfanylacetamide?
N-(1-adamantyl)-2-sulfanylacetamide has a molecular weight of 225.36 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-sulfanylacetamide is sourced from PubChem (CID 584968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).