2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide

C15H25N3O2S — CID 102784168

IUPAC2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1N1CCC(C)C1CN
InChIInChI=1S/C15H25N3O2S/c1-11(2)17-21(19,20)15-7-5-4-6-13(15)18-9-8-12(3)14(18)10-16/h4-7,11-12,14,17H,8-10,16H2,1-3H3
InChIKeyOIBSJGJMTLLESA-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.55
Rot. Bonds5

About 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide

2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 102784168) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
PubChem CID102784168
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccccc1N1CCC(C)C1CN
InChIInChI=1S/C15H25N3O2S/c1-11(2)17-21(19,20)15-7-5-4-6-13(15)18-9-8-12(3)14(18)10-16/h4-7,11-12,14,17H,8-10,16H2,1-3H3
InChIKeyOIBSJGJMTLLESA-UHFFFAOYSA-N
XLogP1.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxopiperidin-1-yl)-N-propan-2-ylbenzenesulfonamide
CID 43454576
2-(bromomethyl)-1-[2-(difluoromethylsulfonyl)phenyl]-3-methylpyrrolidine
CID 102786244
2-(aminomethyl)-3-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 102783794
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide
CID 103353710
2-(3-amino-1,2,4-triazol-1-yl)-N-propan-2-ylbenzenesulfonamide
CID 61176965
[1-[2-(difluoromethylsulfonyl)phenyl]-4-methylpiperidin-2-yl]methanamine
CID 103442531
4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-ethylbenzenesulfonamide
CID 102784166
2-(bromomethyl)-3-methyl-1-[2-(trifluoromethylsulfonyl)phenyl]pyrrolidine
CID 102786172
2-(chloromethyl)-3-methyl-1-(2-propylsulfonylphenyl)pyrrolidine
CID 102785770
2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide
CID 63767418
N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115317043
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]methanone
CID 124592612

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide (CID 102784168) is 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccccc1N1CCC(C)C1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is OIBSJGJMTLLESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11(2)17-21(19,20)15-7-5-4-6-13(15)18-9-8-12(3)14(18)10-16/h4-7,11-12,14,17H,8-10,16H2,1-3H3.
What are the key properties of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide?
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 102784168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).