(3S,4R)-4-phenyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine

C17H18N4O3S — CID 133113925

IUPAC(3S,4R)-4-phenyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine
SMILESN[C@@H]1CN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H18N4O3S/c18-14-11-21(10-13(14)12-4-2-1-3-5-12)25(22,23)17-7-6-16(24-17)15-8-9-19-20-15/h1-9,13-14H,10-11,18H2,(H,19,20)/t13-,14+/m0/s1
InChIKeyWYXKRGBABYKWLD-UONOGXRCSA-N
MW358.42 g/mol
LogP1.79
Rot. Bonds4

About (3S,4R)-4-phenyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine

(3S,4R)-4-phenyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine (PubChem CID 133113925) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine
PubChem CID133113925
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name(3S,4R)-4-phenyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine
SMILESN[C@@H]1CN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H18N4O3S/c18-14-11-21(10-13(14)12-4-2-1-3-5-12)25(22,23)17-7-6-16(24-17)15-8-9-19-20-15/h1-9,13-14H,10-11,18H2,(H,19,20)/t13-,14+/m0/s1
InChIKeyWYXKRGBABYKWLD-UONOGXRCSA-N
XLogP1.79
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-(5-methylfuran-2-yl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766530
(3S,4R)-1-(2-methylpyrazol-3-yl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120766460
(3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine
CID 114263407
(3S)-N-[(1S)-1-phenylethyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889902
(3S,4R)-1-(3-methyltriazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120876860
(4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone
CID 92889884
(3S,4R)-1-(3,5-difluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120767014
azepan-1-yl-[(3R)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone
CID 92889871
(3S,4R)-1-[(5-chloro-3-pyridinyl)sulfonyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766635
(3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 120766691
(3R)-N-cyclopentyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889865
(3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 120767038

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-phenyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine (CID 133113925) is (3S,4R)-4-phenyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-phenyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-phenyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine is N[C@@H]1CN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine?
The InChIKey is WYXKRGBABYKWLD-UONOGXRCSA-N. The full InChI is InChI=1S/C17H18N4O3S/c18-14-11-21(10-13(14)12-4-2-1-3-5-12)25(22,23)17-7-6-16(24-17)15-8-9-19-20-15/h1-9,13-14H,10-11,18H2,(H,19,20)/t13-,14+/m0/s1.
What are the key properties of (3S,4R)-4-phenyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine?
(3S,4R)-4-phenyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine has a molecular weight of 358.42 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 133113925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).