N-[3-(2-phenylpyrrolidin-1-yl)propyl]methanesulfonamide

C14H22N2O2S — CID 47077875

IUPACN-[3-(2-phenylpyrrolidin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CCCC1c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)15-10-6-12-16-11-5-9-14(16)13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3
InChIKeyVOQKHKWYZNXERB-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.76
Rot. Bonds6

About N-[3-(2-phenylpyrrolidin-1-yl)propyl]methanesulfonamide

N-[3-(2-phenylpyrrolidin-1-yl)propyl]methanesulfonamide (PubChem CID 47077875) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[3-(2-phenylpyrrolidin-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-phenylpyrrolidin-1-yl)propyl]methanesulfonamide
PubChem CID47077875
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[3-(2-phenylpyrrolidin-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CCCC1c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)15-10-6-12-16-11-5-9-14(16)13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3
InChIKeyVOQKHKWYZNXERB-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylpyrrolidin-1-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(2-phenylpyrrolidin-1-yl)propyl]methanesulfonamide (CID 47077875) is N-[3-(2-phenylpyrrolidin-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-phenylpyrrolidin-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-phenylpyrrolidin-1-yl)propyl]methanesulfonamide is CS(=O)(=O)NCCCN1CCCC1c1ccccc1.
What is the InChIKey of N-[3-(2-phenylpyrrolidin-1-yl)propyl]methanesulfonamide?
The InChIKey is VOQKHKWYZNXERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-19(17,18)15-10-6-12-16-11-5-9-14(16)13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-12H2,1H3.
What are the key properties of N-[3-(2-phenylpyrrolidin-1-yl)propyl]methanesulfonamide?
N-[3-(2-phenylpyrrolidin-1-yl)propyl]methanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylpyrrolidin-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 47077875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).