N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide

C15H25N3O2S — CID 20962691

IUPACN-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide
SMILESCN(C)c1ccc(C(CNS(C)(=O)=O)N2CCCC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-17(2)14-8-6-13(7-9-14)15(12-16-21(3,19)20)18-10-4-5-11-18/h6-9,15-16H,4-5,10-12H2,1-3H3
InChIKeyQWRGWYJASFBKKV-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.44
Rot. Bonds6

About N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide

N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide (PubChem CID 20962691) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide
PubChem CID20962691
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide
SMILESCN(C)c1ccc(C(CNS(C)(=O)=O)N2CCCC2)cc1
InChIInChI=1S/C15H25N3O2S/c1-17(2)14-8-6-13(7-9-14)15(12-16-21(3,19)20)18-10-4-5-11-18/h6-9,15-16H,4-5,10-12H2,1-3H3
InChIKeyQWRGWYJASFBKKV-UHFFFAOYSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide (CID 20962691) is N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide is CN(C)c1ccc(C(CNS(C)(=O)=O)N2CCCC2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide?
The InChIKey is QWRGWYJASFBKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-17(2)14-8-6-13(7-9-14)15(12-16-21(3,19)20)18-10-4-5-11-18/h6-9,15-16H,4-5,10-12H2,1-3H3.
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide?
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]methanesulfonamide is sourced from PubChem (CID 20962691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).