2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride

C16H22Cl2N2OS — CID 119772458

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride
SMILESCSc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1Cl.Cl
InChIInChI=1S/C16H21ClN2OS.ClH/c1-21-15-5-4-13(9-14(15)17)19-16(20)8-10-6-11-2-3-12(7-10)18-11;/h4-5,9-12,18H,2-3,6-8H2,1H3,(H,19,20);1H
InChIKeyOWRPGHCSNKHZTJ-UHFFFAOYSA-N
MW361.34 g/mol
LogP4.34
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride (PubChem CID 119772458) has the molecular formula C16H22Cl2N2OS and a molecular weight of 361.34 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride
PubChem CID119772458
Molecular FormulaC16H22Cl2N2OS
Molecular Weight361.34 g/mol
Exact Mass360.08
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride
SMILESCSc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1Cl.Cl
InChIInChI=1S/C16H21ClN2OS.ClH/c1-21-15-5-4-13(9-14(15)17)19-16(20)8-10-6-11-2-3-12(7-10)18-11;/h4-5,9-12,18H,2-3,6-8H2,1H3,(H,19,20);1H
InChIKeyOWRPGHCSNKHZTJ-UHFFFAOYSA-N
XLogP4.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chlorobenzoate;hydrochloride
CID 119794116
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride
CID 119773143
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide
CID 119742671
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide
CID 119760650
5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chlorobenzamide;hydrochloride
CID 119711582
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 119715566
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide
CID 119773144
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119702837
5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride
CID 119789178
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 119685267

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride (CID 119772458) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride is CSc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride?
The InChIKey is OWRPGHCSNKHZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS.ClH/c1-21-15-5-4-13(9-14(15)17)19-16(20)8-10-6-11-2-3-12(7-10)18-11;/h4-5,9-12,18H,2-3,6-8H2,1H3,(H,19,20);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride has a molecular weight of 361.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119772458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).