N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride

C15H18ClN3O3S — CID 119485706

IUPACN-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
SMILESCl.NCC1CCN(C(=O)c2ccsc2NC(=O)c2ccco2)C1
InChIInChI=1S/C15H17N3O3S.ClH/c16-8-10-3-5-18(9-10)15(20)11-4-7-22-14(11)17-13(19)12-2-1-6-21-12;/h1-2,4,6-7,10H,3,5,8-9,16H2,(H,17,19);1H
InChIKeyIAGXFPGTTYYIST-UHFFFAOYSA-N
MW355.85 g/mol
LogP2.44
Rot. Bonds4

About N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride

N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride (PubChem CID 119485706) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
PubChem CID119485706
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC NameN-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride
SMILESCl.NCC1CCN(C(=O)c2ccsc2NC(=O)c2ccco2)C1
InChIInChI=1S/C15H17N3O3S.ClH/c16-8-10-3-5-18(9-10)15(20)11-4-7-22-14(11)17-13(19)12-2-1-6-21-12;/h1-2,4,6-7,10H,3,5,8-9,16H2,(H,17,19);1H
InChIKeyIAGXFPGTTYYIST-UHFFFAOYSA-N
XLogP2.44
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophen-2-yl]furan-2-carboxamide;hydrochloride
CID 119637667
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 119646754
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 119483467
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119485689
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-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-2-yl]-4-propan-2-ylbenzamide;hydrochloride
CID 119409444
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(furan-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119484214
N-[3-[4-(aminomethyl)piperidine-1-carbonyl]thiophen-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 119423582
N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 119422876
N-[3-(piperidin-3-ylmethylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119462737
N-[3-(8-azabicyclo[3.2.1]octan-3-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 119457842

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride (CID 119485706) is N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride is Cl.NCC1CCN(C(=O)c2ccsc2NC(=O)c2ccco2)C1.
What is the InChIKey of N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride?
The InChIKey is IAGXFPGTTYYIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S.ClH/c16-8-10-3-5-18(9-10)15(20)11-4-7-22-14(11)17-13(19)12-2-1-6-21-12;/h1-2,4,6-7,10H,3,5,8-9,16H2,(H,17,19);1H.
What are the key properties of N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride?
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride has a molecular weight of 355.85 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119485706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).