N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide

C12H19N3O3S — CID 54903496

IUPACN-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
SMILESCOc1ccc(N)cc1CNS(=O)(=O)N1CCCC1
InChIInChI=1S/C12H19N3O3S/c1-18-12-5-4-11(13)8-10(12)9-14-19(16,17)15-6-2-3-7-15/h4-5,8,14H,2-3,6-7,9,13H2,1H3
InChIKeyRSBUHJPSRLDUJR-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.71
Rot. Bonds5

About N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide

N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 54903496) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
PubChem CID54903496
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide
SMILESCOc1ccc(N)cc1CNS(=O)(=O)N1CCCC1
InChIInChI=1S/C12H19N3O3S/c1-18-12-5-4-11(13)8-10(12)9-14-19(16,17)15-6-2-3-7-15/h4-5,8,14H,2-3,6-7,9,13H2,1H3
InChIKeyRSBUHJPSRLDUJR-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 114958694
N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide
CID 28783407
N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide
CID 79153050
N-[(5-amino-2-methoxyphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62062082
N-[(5-amino-2-methoxyphenyl)methyl]-4-bromobenzenesulfonamide
CID 61014555
4-methoxy-3-(methylaminomethyl)aniline
CID 21415904
N-[(3-aminophenyl)methyl]azepane-1-sulfonamide
CID 43593573
N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 43550340
N-[(5-amino-2-methoxyphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54903401
N-[(5-amino-2-methoxyphenyl)methyl]-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099528
N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413904
3-(tert-butylsulfonylmethyl)-4-methoxyaniline
CID 43444347

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide (CID 54903496) is N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide is COc1ccc(N)cc1CNS(=O)(=O)N1CCCC1.
What is the InChIKey of N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is RSBUHJPSRLDUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-18-12-5-4-11(13)8-10(12)9-14-19(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-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide?
N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methoxyphenyl)methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 54903496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).