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

C14H20N4O3S — CID 72903632

IUPAC(3R,4S)-4-propyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine
SMILESCCC[C@H]1CN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C[C@@H]1N
InChIInChI=1S/C14H20N4O3S/c1-2-3-10-8-18(9-11(10)15)22(19,20)14-5-4-13(21-14)12-6-7-16-17-12/h4-7,10-11H,2-3,8-9,15H2,1H3,(H,16,17)/t10-,11-/m0/s1
InChIKeyWHNNWLMQSROWDM-QWRGUYRKSA-N
MW324.41 g/mol
LogP1.42
Rot. Bonds5

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

(3R,4S)-4-propyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine (PubChem CID 72903632) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is (3R,4S)-4-propyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-propyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine
PubChem CID72903632
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name(3R,4S)-4-propyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine
SMILESCCC[C@H]1CN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C[C@@H]1N
InChIInChI=1S/C14H20N4O3S/c1-2-3-10-8-18(9-11(10)15)22(19,20)14-5-4-13(21-14)12-6-7-16-17-12/h4-7,10-11H,2-3,8-9,15H2,1H3,(H,16,17)/t10-,11-/m0/s1
InChIKeyWHNNWLMQSROWDM-QWRGUYRKSA-N
XLogP1.42
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-propyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine?
The IUPAC name of (3R,4S)-4-propyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine (CID 72903632) is (3R,4S)-4-propyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R,4S)-4-propyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R,4S)-4-propyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine is CCC[C@H]1CN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C[C@@H]1N.
What is the InChIKey of (3R,4S)-4-propyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine?
The InChIKey is WHNNWLMQSROWDM-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-2-3-10-8-18(9-11(10)15)22(19,20)14-5-4-13(21-14)12-6-7-16-17-12/h4-7,10-11H,2-3,8-9,15H2,1H3,(H,16,17)/t10-,11-/m0/s1.
What are the key properties of (3R,4S)-4-propyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine?
(3R,4S)-4-propyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine has a molecular weight of 324.41 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 (3R,4S)-4-propyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 72903632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).