2-(1-adamantyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide

C18H30N2O3S — CID 46991368

IUPAC2-(1-adamantyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C18H30N2O3S/c21-17(19-3-6-24(22,23)20-4-1-2-5-20)13-18-10-14-7-15(11-18)9-16(8-14)12-18/h14-16H,1-13H2,(H,19,21)
InChIKeyVFHWJUQOGXYZAE-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.13
Rot. Bonds6

About 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide

2-(1-adamantyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide (PubChem CID 46991368) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide
PubChem CID46991368
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC Name2-(1-adamantyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C18H30N2O3S/c21-17(19-3-6-24(22,23)20-4-1-2-5-20)13-18-10-14-7-15(11-18)9-16(8-14)12-18/h14-16H,1-13H2,(H,19,21)
InChIKeyVFHWJUQOGXYZAE-UHFFFAOYSA-N
XLogP2.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide (CID 46991368) is 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide?
The InChIKey is VFHWJUQOGXYZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c21-17(19-3-6-24(22,23)20-4-1-2-5-20)13-18-10-14-7-15(11-18)9-16(8-14)12-18/h14-16H,1-13H2,(H,19,21).
What are the key properties of 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide?
2-(1-adamantyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide has a molecular weight of 354.52 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide is sourced from PubChem (CID 46991368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).