N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide

C14H22N2O2S — CID 90619970

IUPACN-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCCN1c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-12(2)19(17,18)15-11-14-9-6-10-16(14)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3
InChIKeyNYWTWUUZOQEYAU-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.98
Rot. Bonds5

About N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide

N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide (PubChem CID 90619970) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide
PubChem CID90619970
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCCN1c1ccccc1
InChIInChI=1S/C14H22N2O2S/c1-12(2)19(17,18)15-11-14-9-6-10-16(14)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3
InChIKeyNYWTWUUZOQEYAU-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide?
The IUPAC name of N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide (CID 90619970) is N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1CCCN1c1ccccc1.
What is the InChIKey of N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide?
The InChIKey is NYWTWUUZOQEYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12(2)19(17,18)15-11-14-9-6-10-16(14)13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3.
What are the key properties of N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide?
N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrrolidin-2-yl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 90619970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).