2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride

C20H31ClN2OS — CID 119799189

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCC1(c2cccs2)CCCCC1
InChIInChI=1S/C20H30N2OS.ClH/c23-19(13-15-11-16-6-7-17(12-15)22-16)21-14-20(8-2-1-3-9-20)18-5-4-10-24-18;/h4-5,10,15-17,22H,1-3,6-9,11-14H2,(H,21,23);1H
InChIKeyRJLDEGBALKCTRT-UHFFFAOYSA-N
MW383.00 g/mol
LogP4.41
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride (PubChem CID 119799189) has the molecular formula C20H31ClN2OS and a molecular weight of 383.00 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride
PubChem CID119799189
Molecular FormulaC20H31ClN2OS
Molecular Weight383.00 g/mol
Exact Mass382.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCC1(c2cccs2)CCCCC1
InChIInChI=1S/C20H30N2OS.ClH/c23-19(13-15-11-16-6-7-17(12-15)22-16)21-14-20(8-2-1-3-9-20)18-5-4-10-24-18;/h4-5,10,15-17,22H,1-3,6-9,11-14H2,(H,21,23);1H
InChIKeyRJLDEGBALKCTRT-UHFFFAOYSA-N
XLogP4.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.00
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]acetamide;hydrochloride
CID 119752290
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119679299
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119772678
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 79615256
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-phenylsulfanylcyclopentyl)methyl]acetamide
CID 119782657
1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea
CID 111440825
1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
CID 30522444
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 79607241
(2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 94221439
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride
CID 119764467
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119817816
N-[(1-thiophen-2-ylcyclohexyl)methyl]cyclopropanamine
CID 62595162

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride (CID 119799189) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)NCC1(c2cccs2)CCCCC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride?
The InChIKey is RJLDEGBALKCTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2OS.ClH/c23-19(13-15-11-16-6-7-17(12-15)22-16)21-14-20(8-2-1-3-9-20)18-5-4-10-24-18;/h4-5,10,15-17,22H,1-3,6-9,11-14H2,(H,21,23);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride has a molecular weight of 383.00 g/mol, XLogP of 4.41, 5 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-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119799189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).