1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide

C13H23N3O2S — CID 43255852

IUPAC1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H23N3O2S/c1-3-16(4-2)9-8-15-19(17,18)11-12-6-5-7-13(14)10-12/h5-7,10,15H,3-4,8-9,11,14H2,1-2H3
InChIKeyZLHRIPRPEOAAPN-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.03
Rot. Bonds8

About 1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide

1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide (PubChem CID 43255852) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
PubChem CID43255852
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H23N3O2S/c1-3-16(4-2)9-8-15-19(17,18)11-12-6-5-7-13(14)10-12/h5-7,10,15H,3-4,8-9,11,14H2,1-2H3
InChIKeyZLHRIPRPEOAAPN-UHFFFAOYSA-N
XLogP1.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
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

1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide
CID 62975336
1-(3-aminophenyl)-N-(2-methylsulfanylethyl)methanesulfonamide
CID 63983289
1-(3-aminophenyl)-N-(3-ethoxypropyl)methanesulfonamide
CID 43256176
1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide
CID 61126237
1-(3-cyanophenyl)-N-[3-(diethylamino)propyl]methanesulfonamide
CID 78863466
1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
CID 61111385
1-(3-aminophenyl)-N-(7-methyloctyl)methanesulfonamide
CID 107814647
N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110425166
ethyl 4-[(3-aminophenyl)methylsulfonylamino]butanoate
CID 64576918
ethyl 2-[(3-aminophenyl)methylsulfonylamino]acetate
CID 60812498
1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide
CID 60914931
2-[(3-aminophenyl)methylsulfonylamino]acetamide
CID 43255729

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide (CID 43255852) is 1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide is CCN(CC)CCNS(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide?
The InChIKey is ZLHRIPRPEOAAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-16(4-2)9-8-15-19(17,18)11-12-6-5-7-13(14)10-12/h5-7,10,15H,3-4,8-9,11,14H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide?
1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 43255852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).