1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide

C14H23N3O2S — CID 60855317

IUPAC1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide
SMILESCCN1CCC(CNS(=O)(=O)Cc2cccc(N)c2)C1
InChIInChI=1S/C14H23N3O2S/c1-2-17-7-6-13(10-17)9-16-20(18,19)11-12-4-3-5-14(15)8-12/h3-5,8,13,16H,2,6-7,9-11,15H2,1H3
InChIKeyDNPCGZJWALGIHV-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.03
Rot. Bonds6

About 1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide

1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide (PubChem CID 60855317) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide
PubChem CID60855317
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide
SMILESCCN1CCC(CNS(=O)(=O)Cc2cccc(N)c2)C1
InChIInChI=1S/C14H23N3O2S/c1-2-17-7-6-13(10-17)9-16-20(18,19)11-12-4-3-5-14(15)8-12/h3-5,8,13,16H,2,6-7,9-11,15H2,1H3
InChIKeyDNPCGZJWALGIHV-UHFFFAOYSA-N
XLogP1.03
TPSA75.43 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 ≤ 51.03
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-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methoxybenzenesulfonamide
CID 60854977
3-[(1-ethylpyrrolidin-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 60857196
3-[(1-methylpyrrolidin-3-yl)methylsulfamoylmethyl]benzenecarbothioamide
CID 61000146
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 16887670
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 60857328
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 60910513
2-amino-4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 60856671
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887673
1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide
CID 63995025
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
2-[3-[(1-ethylpiperidin-3-yl)methylsulfamoyl]phenyl]acetic acid
CID 146108649
3-[3-(4-ethylpiperidin-1-yl)propyl]aniline
CID 113290630

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide (CID 60855317) is 1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide is CCN1CCC(CNS(=O)(=O)Cc2cccc(N)c2)C1.
What is the InChIKey of 1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide?
The InChIKey is DNPCGZJWALGIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-17-7-6-13(10-17)9-16-20(18,19)11-12-4-3-5-14(15)8-12/h3-5,8,13,16H,2,6-7,9-11,15H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide?
1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 60855317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).