1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide

C12H21N3O2S — CID 61126237

IUPAC1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1cccc(N)c1)N(C)C
InChIInChI=1S/C12H21N3O2S/c1-10(15(2)3)8-14-18(16,17)9-11-5-4-6-12(13)7-11/h4-7,10,14H,8-9,13H2,1-3H3
InChIKeyGOAWABSDMGFQNF-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.64
Rot. Bonds6

About 1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide

1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide (PubChem CID 61126237) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide
PubChem CID61126237
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1cccc(N)c1)N(C)C
InChIInChI=1S/C12H21N3O2S/c1-10(15(2)3)8-14-18(16,17)9-11-5-4-6-12(13)7-11/h4-7,10,14H,8-9,13H2,1-3H3
InChIKeyGOAWABSDMGFQNF-UHFFFAOYSA-N
XLogP0.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.64
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-(diethylamino)ethyl]methanesulfonamide
CID 43255852
1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
CID 61111385
1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide
CID 107212663
1-(3-aminophenyl)-N-(7-methyloctyl)methanesulfonamide
CID 107814647
2-[(3-aminophenyl)methylsulfonylamino]propanamide
CID 43545255
ethyl 2-[(3-aminophenyl)methylsulfonylamino]acetate
CID 60812498
1-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]methanesulfonamide
CID 62975336
2-[(3-aminophenyl)methylsulfonylamino]acetamide
CID 43255729
1-(3-aminophenyl)-N-(2-methylsulfanylethyl)methanesulfonamide
CID 63983289
1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)methanesulfonamide
CID 43256349
4-[2-(dimethylamino)propylsulfamoylmethyl]benzoic acid
CID 61042934
1-(3-aminophenyl)-N-butan-2-yl-N-ethylmethanesulfonamide
CID 43274176

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide (CID 61126237) is 1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide is CC(CNS(=O)(=O)Cc1cccc(N)c1)N(C)C.
What is the InChIKey of 1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide?
The InChIKey is GOAWABSDMGFQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(15(2)3)8-14-18(16,17)9-11-5-4-6-12(13)7-11/h4-7,10,14H,8-9,13H2,1-3H3.
What are the key properties of 1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide?
1-(3-aminophenyl)-N-[2-(dimethylamino)propyl]methanesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.64, 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-[2-(dimethylamino)propyl]methanesulfonamide is sourced from PubChem (CID 61126237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).