N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide

C19H28N2OS — CID 119457026

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide
SMILESCC(C)(C)c1ccc(SCC(=O)NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C19H28N2OS/c1-19(2,3)13-4-8-17(9-5-13)23-12-18(22)21-16-10-14-6-7-15(11-16)20-14/h4-5,8-9,14-16,20H,6-7,10-12H2,1-3H3,(H,21,22)
InChIKeyUIFXYQPHAYELQV-UHFFFAOYSA-N
MW332.51 g/mol
LogP3.48
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide (PubChem CID 119457026) has the molecular formula C19H28N2OS and a molecular weight of 332.51 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide
PubChem CID119457026
Molecular FormulaC19H28N2OS
Molecular Weight332.51 g/mol
Exact Mass332.19
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide
SMILESCC(C)(C)c1ccc(SCC(=O)NC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C19H28N2OS/c1-19(2,3)13-4-8-17(9-5-13)23-12-18(22)21-16-10-14-6-7-15(11-16)20-14/h4-5,8-9,14-16,20H,6-7,10-12H2,1-3H3,(H,21,22)
InChIKeyUIFXYQPHAYELQV-UHFFFAOYSA-N
XLogP3.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide (CID 119457026) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide is CC(C)(C)c1ccc(SCC(=O)NC2CC3CCC(C2)N3)cc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide?
The InChIKey is UIFXYQPHAYELQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2OS/c1-19(2,3)13-4-8-17(9-5-13)23-12-18(22)21-16-10-14-6-7-15(11-16)20-14/h4-5,8-9,14-16,20H,6-7,10-12H2,1-3H3,(H,21,22).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide has a molecular weight of 332.51 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide is sourced from PubChem (CID 119457026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).