N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride

C17H20ClN3O3S — CID 119637667

IUPACN-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1sccc1C(=O)N1CCC2CCC(C1)N2)c1ccco1
InChIInChI=1S/C17H19N3O3S.ClH/c21-15(14-2-1-8-23-14)19-16-13(6-9-24-16)17(22)20-7-5-11-3-4-12(10-20)18-11;/h1-2,6,8-9,11-12,18H,3-5,7,10H2,(H,19,21);1H
InChIKeyVHOFIHKOBHIWNY-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.98
Rot. Bonds3

About N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride

N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride (PubChem CID 119637667) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride
PubChem CID119637667
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC NameN-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1sccc1C(=O)N1CCC2CCC(C1)N2)c1ccco1
InChIInChI=1S/C17H19N3O3S.ClH/c21-15(14-2-1-8-23-14)19-16-13(6-9-24-16)17(22)20-7-5-11-3-4-12(10-20)18-11;/h1-2,6,8-9,11-12,18H,3-5,7,10H2,(H,19,21);1H
InChIKeyVHOFIHKOBHIWNY-UHFFFAOYSA-N
XLogP2.98
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119485706
N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119457842
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 119646754
N-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]thiophene-2-carboxamide
CID 119636218
N-[3-[(2-amino-1-cyclohexylethyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119590926
N-[3-[(2-amino-2-methylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119628741
N-[3-(piperidin-3-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119462737
3,9-diazabicyclo[4.2.1]nonan-3-yl(naphthalen-1-yl)methanone;hydrochloride
CID 119636847
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119634833
2-[[2-(furan-2-carbonylamino)acetyl]amino]thiophene-3-carboxylic acid
CID 43357386
(2R)-2-[[2-(furan-2-carbonylamino)thiophene-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363906
(2-chloro-4-fluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119638995

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride (CID 119637667) is N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride is Cl.O=C(Nc1sccc1C(=O)N1CCC2CCC(C1)N2)c1ccco1.
What is the InChIKey of N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride?
The InChIKey is VHOFIHKOBHIWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S.ClH/c21-15(14-2-1-8-23-14)19-16-13(6-9-24-16)17(22)20-7-5-11-3-4-12(10-20)18-11;/h1-2,6,8-9,11-12,18H,3-5,7,10H2,(H,19,21);1H.
What are the key properties of N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride?
N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride has a molecular weight of 381.89 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119637667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).