N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide

C12H19N3O3S — CID 104847754

IUPACN-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide
SMILESCOc1cc(CN)ccc1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C12H19N3O3S/c1-18-12-8-10(9-13)4-5-11(12)14-19(16,17)15-6-2-3-7-15/h4-5,8,14H,2-3,6-7,9,13H2,1H3
InChIKeySEFDBZXLGPTUHA-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.91
Rot. Bonds5

About N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide

N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide (PubChem CID 104847754) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide
PubChem CID104847754
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide
SMILESCOc1cc(CN)ccc1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C12H19N3O3S/c1-18-12-8-10(9-13)4-5-11(12)14-19(16,17)15-6-2-3-7-15/h4-5,8,14H,2-3,6-7,9,13H2,1H3
InChIKeySEFDBZXLGPTUHA-UHFFFAOYSA-N
XLogP0.91
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide
CID 28783407
N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide
CID 113460263
N-[4-(aminomethyl)-2-methoxyphenyl]azepane-1-carboxamide
CID 104848512
N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 104847775
N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide
CID 110705880
4-(aminomethyl)-N-(ethylsulfamoyl)-2-methoxyaniline
CID 114804139
4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline
CID 114804141
N-(2-amino-4-methoxyphenyl)azepane-1-sulfonamide
CID 28783253
N-(2-amino-5-methoxyphenyl)piperidine-1-sulfonamide
CID 63258793
N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide
CID 62104142
N-[2-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369684
N-(2-hydroxy-5-methoxyphenyl)pyrrolidine-1-sulfonamide
CID 103760192

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide (CID 104847754) is N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide is COc1cc(CN)ccc1NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide?
The InChIKey is SEFDBZXLGPTUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-18-12-8-10(9-13)4-5-11(12)14-19(16,17)15-6-2-3-7-15/h4-5,8,14H,2-3,6-7,9,13H2,1H3.
What are the key properties of N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide?
N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 104847754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).