N-(2-hydroxyethyl)-2-(2-sulfanyl-2-adamantyl)acetamide

C14H23NO2S — CID 87874518

IUPACN-(2-hydroxyethyl)-2-(2-sulfanyl-2-adamantyl)acetamide
SMILESO=C(CC1(S)C2CC3CC(C2)CC1C3)NCCO
InChIInChI=1S/C14H23NO2S/c16-2-1-15-13(17)8-14(18)11-4-9-3-10(6-11)7-12(14)5-9/h9-12,16,18H,1-8H2,(H,15,17)
InChIKeySLQVQFWSVLCLSU-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.61
Rot. Bonds4

About N-(2-hydroxyethyl)-2-(2-sulfanyl-2-adamantyl)acetamide

N-(2-hydroxyethyl)-2-(2-sulfanyl-2-adamantyl)acetamide (PubChem CID 87874518) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-sulfanyl-2-adamantyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-sulfanyl-2-adamantyl)acetamide
PubChem CID87874518
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-(2-hydroxyethyl)-2-(2-sulfanyl-2-adamantyl)acetamide
SMILESO=C(CC1(S)C2CC3CC(C2)CC1C3)NCCO
InChIInChI=1S/C14H23NO2S/c16-2-1-15-13(17)8-14(18)11-4-9-3-10(6-11)7-12(14)5-9/h9-12,16,18H,1-8H2,(H,15,17)
InChIKeySLQVQFWSVLCLSU-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-hydroxyethyl)-2-(2-sulfanyl-2-adamantyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-sulfanyl-2-adamantyl)acetamide (CID 87874518) is N-(2-hydroxyethyl)-2-(2-sulfanyl-2-adamantyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-sulfanyl-2-adamantyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-sulfanyl-2-adamantyl)acetamide is O=C(CC1(S)C2CC3CC(C2)CC1C3)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-sulfanyl-2-adamantyl)acetamide?
The InChIKey is SLQVQFWSVLCLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c16-2-1-15-13(17)8-14(18)11-4-9-3-10(6-11)7-12(14)5-9/h9-12,16,18H,1-8H2,(H,15,17).
What are the key properties of N-(2-hydroxyethyl)-2-(2-sulfanyl-2-adamantyl)acetamide?
N-(2-hydroxyethyl)-2-(2-sulfanyl-2-adamantyl)acetamide has a molecular weight of 269.41 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-sulfanyl-2-adamantyl)acetamide is sourced from PubChem (CID 87874518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).