(3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine

C13H18N2O2S — CID 114263407

IUPAC(3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine
SMILESN[C@@H]1CN(S(=O)(=O)C2CC2)C[C@H]1c1ccccc1
InChIInChI=1S/C13H18N2O2S/c14-13-9-15(18(16,17)11-6-7-11)8-12(13)10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2/t12-,13+/m0/s1
InChIKeyMUPAEXRVBZSSDD-QWHCGFSZSA-N
MW266.37 g/mol
LogP0.91
Rot. Bonds3

About (3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine

(3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine (PubChem CID 114263407) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine
PubChem CID114263407
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name(3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine
SMILESN[C@@H]1CN(S(=O)(=O)C2CC2)C[C@H]1c1ccccc1
InChIInChI=1S/C13H18N2O2S/c14-13-9-15(18(16,17)11-6-7-11)8-12(13)10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2/t12-,13+/m0/s1
InChIKeyMUPAEXRVBZSSDD-QWHCGFSZSA-N
XLogP0.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-(3,5-difluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 120767014
(3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 120767038
(3S,4R)-3-amino-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide;hydrochloride
CID 120876883
(3S,4R)-4-phenyl-1-(2-phenylethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 120766936
(3S,4R)-1-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766427
(3S,4R)-4-phenyl-1-thiophen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 120766691
(3S,4R)-1-but-3-enylsulfonyl-4-phenylpyrrolidin-3-amine
CID 120766853
(3S,4R)-1-(5-methylfuran-2-yl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766530
2-(3-amino-4-phenylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 90406021
(3S,4R)-1-(4-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-amine
CID 90406705
(3S,4R)-1-(3-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120766465
3-(1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 121019752

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine (CID 114263407) is (3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine is N[C@@H]1CN(S(=O)(=O)C2CC2)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine?
The InChIKey is MUPAEXRVBZSSDD-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H18N2O2S/c14-13-9-15(18(16,17)11-6-7-11)8-12(13)10-4-2-1-3-5-10/h1-5,11-13H,6-9,14H2/t12-,13+/m0/s1.
What are the key properties of (3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine has a molecular weight of 266.37 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-cyclopropylsulfonyl-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 114263407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).