(3R,4R)-1-methylsulfonyl-4-(4-phenylpiperazin-1-yl)pyrrolidin-3-ol

C15H23N3O3S — CID 110108717

IUPAC(3R,4R)-1-methylsulfonyl-4-(4-phenylpiperazin-1-yl)pyrrolidin-3-ol
SMILESCS(=O)(=O)N1C[C@@H](O)[C@H](N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)18-11-14(15(19)12-18)17-9-7-16(8-10-17)13-5-3-2-4-6-13/h2-6,14-15,19H,7-12H2,1H3/t14-,15-/m1/s1
InChIKeyGRFPYJNYXDFDSG-HUUCEWRRSA-N
MW325.43 g/mol
LogP-0.19
Rot. Bonds3

About (3R,4R)-1-methylsulfonyl-4-(4-phenylpiperazin-1-yl)pyrrolidin-3-ol

(3R,4R)-1-methylsulfonyl-4-(4-phenylpiperazin-1-yl)pyrrolidin-3-ol (PubChem CID 110108717) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is (3R,4R)-1-methylsulfonyl-4-(4-phenylpiperazin-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-methylsulfonyl-4-(4-phenylpiperazin-1-yl)pyrrolidin-3-ol
PubChem CID110108717
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name(3R,4R)-1-methylsulfonyl-4-(4-phenylpiperazin-1-yl)pyrrolidin-3-ol
SMILESCS(=O)(=O)N1C[C@@H](O)[C@H](N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C15H23N3O3S/c1-22(20,21)18-11-14(15(19)12-18)17-9-7-16(8-10-17)13-5-3-2-4-6-13/h2-6,14-15,19H,7-12H2,1H3/t14-,15-/m1/s1
InChIKeyGRFPYJNYXDFDSG-HUUCEWRRSA-N
XLogP-0.19
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-methylsulfonyl-4-(4-phenylpiperazin-1-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-methylsulfonyl-4-(4-phenylpiperazin-1-yl)pyrrolidin-3-ol (CID 110108717) is (3R,4R)-1-methylsulfonyl-4-(4-phenylpiperazin-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-methylsulfonyl-4-(4-phenylpiperazin-1-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-methylsulfonyl-4-(4-phenylpiperazin-1-yl)pyrrolidin-3-ol is CS(=O)(=O)N1C[C@@H](O)[C@H](N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of (3R,4R)-1-methylsulfonyl-4-(4-phenylpiperazin-1-yl)pyrrolidin-3-ol?
The InChIKey is GRFPYJNYXDFDSG-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-22(20,21)18-11-14(15(19)12-18)17-9-7-16(8-10-17)13-5-3-2-4-6-13/h2-6,14-15,19H,7-12H2,1H3/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-1-methylsulfonyl-4-(4-phenylpiperazin-1-yl)pyrrolidin-3-ol?
(3R,4R)-1-methylsulfonyl-4-(4-phenylpiperazin-1-yl)pyrrolidin-3-ol has a molecular weight of 325.43 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-methylsulfonyl-4-(4-phenylpiperazin-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 110108717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).