1-phenyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide

C13H20N2O2S — CID 8519810

IUPAC1-phenyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCN1CCCC1
InChIInChI=1S/C13H20N2O2S/c16-18(17,12-13-6-2-1-3-7-13)14-8-11-15-9-4-5-10-15/h1-3,6-7,14H,4-5,8-12H2
InChIKeyWQGCOZZUFSPJBM-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.20
Rot. Bonds6

About 1-phenyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide

1-phenyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 8519810) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-phenyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID8519810
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-phenyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCCN1CCCC1
InChIInChI=1S/C13H20N2O2S/c16-18(17,12-13-6-2-1-3-7-13)14-8-11-15-9-4-5-10-15/h1-3,6-7,14H,4-5,8-12H2
InChIKeyWQGCOZZUFSPJBM-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of 1-phenyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 8519810) is 1-phenyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for 1-phenyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide is O=S(=O)(Cc1ccccc1)NCCN1CCCC1.
What is the InChIKey of 1-phenyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is WQGCOZZUFSPJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c16-18(17,12-13-6-2-1-3-7-13)14-8-11-15-9-4-5-10-15/h1-3,6-7,14H,4-5,8-12H2.
What are the key properties of 1-phenyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide?
1-phenyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 8519810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).