2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide

C13H21N3O2S — CID 103976908

IUPAC2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N1CCC(C(C)N)C1
InChIInChI=1S/C13H21N3O2S/c1-10(14)11-7-8-16(9-11)12-5-3-4-6-13(12)19(17,18)15-2/h3-6,10-11,15H,7-9,14H2,1-2H3
InChIKeyRLZAIJKIXVTTFL-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.77
Rot. Bonds4

About 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide (PubChem CID 103976908) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
PubChem CID103976908
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N1CCC(C(C)N)C1
InChIInChI=1S/C13H21N3O2S/c1-10(14)11-7-8-16(9-11)12-5-3-4-6-13(12)19(17,18)15-2/h3-6,10-11,15H,7-9,14H2,1-2H3
InChIKeyRLZAIJKIXVTTFL-UHFFFAOYSA-N
XLogP0.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.77
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-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 62063614
1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine
CID 63852987
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667
5-amino-N-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
CID 103505188
2-[3-(1-aminoethyl)pyrrolidin-1-yl]benzonitrile
CID 103976657
1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine
CID 83981947
4-[4-(1-aminoethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 63596613
N-methyl-1-[1-(2-methylsulfonylphenyl)piperidin-4-yl]ethanamine
CID 63853535
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 115966620
2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 154769258
2-[3-(methylamino)pyrrolidin-1-yl]-N-propylbenzenesulfonamide
CID 115300944

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide (CID 103976908) is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1N1CCC(C(C)N)C1.
What is the InChIKey of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide?
The InChIKey is RLZAIJKIXVTTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10(14)11-7-8-16(9-11)12-5-3-4-6-13(12)19(17,18)15-2/h3-6,10-11,15H,7-9,14H2,1-2H3.
What are the key properties of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide?
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 103976908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).