(3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine

C19H24N2O2S — CID 120766881

IUPAC(3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
SMILESCC(C)c1cccc(S(=O)(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C19H24N2O2S/c1-14(2)16-9-6-10-17(11-16)24(22,23)21-12-18(19(20)13-21)15-7-4-3-5-8-15/h3-11,14,18-19H,12-13,20H2,1-2H3/t18-,19+/m0/s1
InChIKeyOXONMZFRRDSDGO-RBUKOAKNSA-N
MW344.48 g/mol
LogP2.93
Rot. Bonds4

About (3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine

(3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine (PubChem CID 120766881) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
PubChem CID120766881
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name(3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
SMILESCC(C)c1cccc(S(=O)(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C19H24N2O2S/c1-14(2)16-9-6-10-17(11-16)24(22,23)21-12-18(19(20)13-21)15-7-4-3-5-8-15/h3-11,14,18-19H,12-13,20H2,1-2H3/t18-,19+/m0/s1
InChIKeyOXONMZFRRDSDGO-RBUKOAKNSA-N
XLogP2.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-(3-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766465
(3S,4R)-1-(3,5-difluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120767014
(3S,4R)-1-(4-methoxy-3-methylphenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766926
(3S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120767196
(3S,4R)-1-(4-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 90406705
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide
CID 120767034
(3S,4R)-4-phenyl-1-(1-propan-2-ylindazol-5-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120766752
methyl 4-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonylbenzoate
CID 120766596
(3S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766609
(3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 120767038
(3S,4R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-4-phenylpyrrolidin-3-amine
CID 120766733
(3S,4R)-1-[(6-methyl-3-pyridinyl)sulfonyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766996

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine (CID 120766881) is (3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine is CC(C)c1cccc(S(=O)(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)c1.
What is the InChIKey of (3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine?
The InChIKey is OXONMZFRRDSDGO-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14(2)16-9-6-10-17(11-16)24(22,23)21-12-18(19(20)13-21)15-7-4-3-5-8-15/h3-11,14,18-19H,12-13,20H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of (3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine?
(3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine has a molecular weight of 344.48 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-(3-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 120766881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).