N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide

C14H22N2O2S — CID 64590840

IUPACN-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C14H22N2O2S/c1-12(2)19(17,18)15-14-7-5-6-13(10-14)11-16-8-3-4-9-16/h5-7,10,12,15H,3-4,8-9,11H2,1-2H3
InChIKeyYLRXCOIQRMDVEJ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.43
Rot. Bonds5

About N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide

N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide (PubChem CID 64590840) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide
PubChem CID64590840
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cccc(CN2CCCC2)c1
InChIInChI=1S/C14H22N2O2S/c1-12(2)19(17,18)15-14-7-5-6-13(10-14)11-16-8-3-4-9-16/h5-7,10,12,15H,3-4,8-9,11H2,1-2H3
InChIKeyYLRXCOIQRMDVEJ-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
CID 169370271
ethane;N-(3-ethylphenyl)propane-2-sulfonamide;molecular hydrogen
CID 145394472
N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline
CID 63952076
3-chloro-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-1-sulfonamide
CID 60959543
1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide
CID 167991524
N-octan-2-yl-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691855
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61274374
N-[3-(thiomorpholin-4-ylmethyl)phenyl]ethanesulfonamide
CID 86803114
tert-butyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 65142881
(2S,3S)-2-amino-3-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 61178548
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide?
The IUPAC name of N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide (CID 64590840) is N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cccc(CN2CCCC2)c1.
What is the InChIKey of N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide?
The InChIKey is YLRXCOIQRMDVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12(2)19(17,18)15-14-7-5-6-13(10-14)11-16-8-3-4-9-16/h5-7,10,12,15H,3-4,8-9,11H2,1-2H3.
What are the key properties of N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide?
N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 64590840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).