N-(1-adamantyl)-2-cyclopentylsulfanylacetamide

C17H27NOS — CID 4821442

IUPACN-(1-adamantyl)-2-cyclopentylsulfanylacetamide
SMILESO=C(CSC1CCCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NOS/c19-16(11-20-15-3-1-2-4-15)18-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,1-11H2,(H,18,19)
InChIKeyJXQBRRQORDGLQH-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.75
Rot. Bonds4

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

N-(1-adamantyl)-2-cyclopentylsulfanylacetamide (PubChem CID 4821442) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-(1-adamantyl)-2-cyclopentylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-cyclopentylsulfanylacetamide
PubChem CID4821442
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-(1-adamantyl)-2-cyclopentylsulfanylacetamide
SMILESO=C(CSC1CCCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NOS/c19-16(11-20-15-3-1-2-4-15)18-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,1-11H2,(H,18,19)
InChIKeyJXQBRRQORDGLQH-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-cyclopentylsulfanylacetamide?
The IUPAC name of N-(1-adamantyl)-2-cyclopentylsulfanylacetamide (CID 4821442) is N-(1-adamantyl)-2-cyclopentylsulfanylacetamide.
What is the SMILES notation for N-(1-adamantyl)-2-cyclopentylsulfanylacetamide?
The canonical SMILES for N-(1-adamantyl)-2-cyclopentylsulfanylacetamide is O=C(CSC1CCCC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-cyclopentylsulfanylacetamide?
The InChIKey is JXQBRRQORDGLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c19-16(11-20-15-3-1-2-4-15)18-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-15H,1-11H2,(H,18,19).
What are the key properties of N-(1-adamantyl)-2-cyclopentylsulfanylacetamide?
N-(1-adamantyl)-2-cyclopentylsulfanylacetamide has a molecular weight of 293.48 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-cyclopentylsulfanylacetamide is sourced from PubChem (CID 4821442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).