5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-methylfuran-2-sulfonamide;hydrochloride

C17H22ClN3O4S — CID 120744171

IUPAC5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-methylfuran-2-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)o1.Cl
InChIInChI=1S/C17H21N3O4S.ClH/c1-19-25(22,23)16-8-7-15(24-16)17(21)20-10-13(9-18)14(11-20)12-5-3-2-4-6-12;/h2-8,13-14,19H,9-11,18H2,1H3;1H/t13-,14+;/m1./s1
InChIKeyLXCAZDOYXVBOER-DFQHDRSWSA-N
MW399.90 g/mol
LogP1.42
Rot. Bonds5

About 5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-methylfuran-2-sulfonamide;hydrochloride

5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-methylfuran-2-sulfonamide;hydrochloride (PubChem CID 120744171) has the molecular formula C17H22ClN3O4S and a molecular weight of 399.90 g/mol. Its IUPAC name is 5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-methylfuran-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-methylfuran-2-sulfonamide;hydrochloride
PubChem CID120744171
Molecular FormulaC17H22ClN3O4S
Molecular Weight399.90 g/mol
Exact Mass399.10
IUPAC Name5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-methylfuran-2-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)o1.Cl
InChIInChI=1S/C17H21N3O4S.ClH/c1-19-25(22,23)16-8-7-15(24-16)17(21)20-10-13(9-18)14(11-20)12-5-3-2-4-6-12;/h2-8,13-14,19H,9-11,18H2,1H3;1H/t13-,14+;/m1./s1
InChIKeyLXCAZDOYXVBOER-DFQHDRSWSA-N
XLogP1.42
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 120742263
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 120743708
N-[3-acetamido-5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 120743213
1-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]phenyl]ethanone;hydrochloride
CID 120744819
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one;hydrochloride
CID 120742384
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-yl]methanone
CID 120742864
N-[1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]methanesulfonamide;hydrochloride
CID 120743413
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
CID 120744855
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethanone;ethane
CID 90748357
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 120742767
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 120744403
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride
CID 120745790

Frequently Asked Questions

What is the IUPAC name of 5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-methylfuran-2-sulfonamide;hydrochloride?
The IUPAC name of 5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-methylfuran-2-sulfonamide;hydrochloride (CID 120744171) is 5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-methylfuran-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-methylfuran-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-methylfuran-2-sulfonamide;hydrochloride is CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)o1.Cl.
What is the InChIKey of 5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-methylfuran-2-sulfonamide;hydrochloride?
The InChIKey is LXCAZDOYXVBOER-DFQHDRSWSA-N. The full InChI is InChI=1S/C17H21N3O4S.ClH/c1-19-25(22,23)16-8-7-15(24-16)17(21)20-10-13(9-18)14(11-20)12-5-3-2-4-6-12;/h2-8,13-14,19H,9-11,18H2,1H3;1H/t13-,14+;/m1./s1.
What are the key properties of 5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-methylfuran-2-sulfonamide;hydrochloride?
5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-methylfuran-2-sulfonamide;hydrochloride has a molecular weight of 399.90 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-N-methylfuran-2-sulfonamide;hydrochloride is sourced from PubChem (CID 120744171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).