2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide

C14H23N3O2S — CID 115300944

IUPAC2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1N1CCC(NC)C1
InChIInChI=1S/C14H23N3O2S/c1-3-9-16-20(18,19)14-7-5-4-6-13(14)17-10-8-12(11-17)15-2/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyZSJDBGMIQYUOHC-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.17
Rot. Bonds6

About 2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide

2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide (PubChem CID 115300944) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide
PubChem CID115300944
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1N1CCC(NC)C1
InChIInChI=1S/C14H23N3O2S/c1-3-9-16-20(18,19)14-7-5-4-6-13(14)17-10-8-12(11-17)15-2/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyZSJDBGMIQYUOHC-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 115300856
2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-propylbenzenesulfonamide
CID 118599814
N-methyl-1-(2-methylsulfonylphenyl)piperidin-4-amine
CID 54923585
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide
CID 102986774
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 62063614
N-ethyl-2-[4-(hydroxymethyl)piperidin-1-yl]benzenesulfonamide
CID 61146535
2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-N-propylbenzenesulfonamide
CID 43599171
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 103976908
2-(3-aminoazetidin-1-yl)-N-ethylbenzenesulfonamide
CID 63760577
2-(1,3-dioxoisoindol-2-yl)-N-propylbenzenesulfonamide
CID 168517046
N-ethyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine
CID 60807769

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide?
The IUPAC name of 2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide (CID 115300944) is 2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide?
The canonical SMILES for 2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1N1CCC(NC)C1.
What is the InChIKey of 2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide?
The InChIKey is ZSJDBGMIQYUOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-9-16-20(18,19)14-7-5-4-6-13(14)17-10-8-12(11-17)15-2/h4-7,12,15-16H,3,8-11H2,1-2H3.
What are the key properties of 2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide?
2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 115300944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).