N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide

C16H22N2O2S — CID 119458861

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)NC2CC3CCC(C2)N3)c1
InChIInChI=1S/C16H22N2O2S/c1-20-14-3-2-4-15(9-14)21-10-16(19)18-13-7-11-5-6-12(8-13)17-11/h2-4,9,11-13,17H,5-8,10H2,1H3,(H,18,19)
InChIKeyKEVIUAJQMADLPJ-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.19
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide (PubChem CID 119458861) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide
PubChem CID119458861
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)NC2CC3CCC(C2)N3)c1
InChIInChI=1S/C16H22N2O2S/c1-20-14-3-2-4-15(9-14)21-10-16(19)18-13-7-11-5-6-12(8-13)17-11/h2-4,9,11-13,17H,5-8,10H2,1H3,(H,18,19)
InChIKeyKEVIUAJQMADLPJ-UHFFFAOYSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 119459341
2-(3-methoxyphenyl)sulfanyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119453540
N-(1-cyclopropylpyrrolidin-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 47937957
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-tert-butylphenyl)sulfanylacetamide
CID 119457026
N-[2-(aminomethyl)cyclopentyl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 119604496
N-[(3S,7S,8aS)-3-(2-hydroxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(3-methoxyphenyl)sulfanylacetamide
CID 154818260
5-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 119234511
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 119575363
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119456259
1-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(3-methoxyphenyl)sulfanylethanone
CID 131903155
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide;dihydrochloride
CID 119884229

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide (CID 119458861) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide is COc1cccc(SCC(=O)NC2CC3CCC(C2)N3)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide?
The InChIKey is KEVIUAJQMADLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-20-14-3-2-4-15(9-14)21-10-16(19)18-13-7-11-5-6-12(8-13)17-11/h2-4,9,11-13,17H,5-8,10H2,1H3,(H,18,19).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide has a molecular weight of 306.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 119458861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).