N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride

C17H26ClN3O2S — CID 119764467

IUPACN-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCCCNC(=O)c1cccs1
InChIInChI=1S/C17H25N3O2S.ClH/c21-16(11-12-9-13-4-5-14(10-12)20-13)18-6-2-7-19-17(22)15-3-1-8-23-15;/h1,3,8,12-14,20H,2,4-7,9-11H2,(H,18,21)(H,19,22);1H
InChIKeyAGKHYRISFMKZIB-UHFFFAOYSA-N
MW371.93 g/mol
LogP2.33
Rot. Bonds7

About N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride

N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119764467) has the molecular formula C17H26ClN3O2S and a molecular weight of 371.93 g/mol. Its IUPAC name is N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119764467
Molecular FormulaC17H26ClN3O2S
Molecular Weight371.93 g/mol
Exact Mass371.14
IUPAC NameN-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCCCNC(=O)c1cccs1
InChIInChI=1S/C17H25N3O2S.ClH/c21-16(11-12-9-13-4-5-14(10-12)20-13)18-6-2-7-19-17(22)15-3-1-8-23-15;/h1,3,8,12-14,20H,2,4-7,9-11H2,(H,18,21)(H,19,22);1H
InChIKeyAGKHYRISFMKZIB-UHFFFAOYSA-N
XLogP2.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119759073
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 79607241
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119701069
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119679299
N-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride
CID 119703573
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride
CID 119854577
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119799189
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(benzenesulfonyl)propyl]acetamide
CID 119755174
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119875509
N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethyl-1-thiophen-2-ylbutyl)acetamide
CID 119744636
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenoxy)butyl]acetamide;hydrochloride
CID 119722676

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride (CID 119764467) is N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)NCCCNC(=O)c1cccs1.
What is the InChIKey of N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is AGKHYRISFMKZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S.ClH/c21-16(11-12-9-13-4-5-14(10-12)20-13)18-6-2-7-19-17(22)15-3-1-8-23-15;/h1,3,8,12-14,20H,2,4-7,9-11H2,(H,18,21)(H,19,22);1H.
What are the key properties of N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride?
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 371.93 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119764467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).