1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide

C15H27N3O2S — CID 103188514

IUPAC1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C15H27N3O2S/c1-5-18(13(2)11-17(3)4)21(19,20)12-15-8-6-7-14(9-15)10-16/h6-9,13H,5,10-12,16H2,1-4H3
InChIKeyDESGHQJTNSHUKM-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.25
Rot. Bonds8

About 1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide

1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide (PubChem CID 103188514) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide
PubChem CID103188514
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)Cc1cccc(CN)c1
InChIInChI=1S/C15H27N3O2S/c1-5-18(13(2)11-17(3)4)21(19,20)12-15-8-6-7-14(9-15)10-16/h6-9,13H,5,10-12,16H2,1-4H3
InChIKeyDESGHQJTNSHUKM-UHFFFAOYSA-N
XLogP1.25
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminophenyl)-N-butan-2-yl-N-ethylmethanesulfonamide
CID 43274176
1-[3-(aminomethyl)phenyl]-N-methyl-N-propylmethanesulfonamide
CID 54885724
4-(aminomethyl)-2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103192333
1-[3-(aminomethyl)phenyl]-N-methyl-N-phenylmethanesulfonamide
CID 60979524
[3-(3-methylbutan-2-ylsulfonylmethyl)phenyl]methanamine
CID 107766927
3-(aminomethyl)-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 43265789
1-[3-(aminomethyl)phenyl]-N-cyclohexyl-N-methylmethanesulfonamide
CID 60978989
1-[3-(aminomethyl)phenyl]-N-cyclopropyl-N-(3-methylbutyl)methanesulfonamide
CID 78973614
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103188525
1-[3-(aminomethyl)phenyl]-N-methyl-N-(4-methylcyclohexyl)methanesulfonamide
CID 61437561
N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutane-1-sulfonamide
CID 63834740
1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide
CID 43274531

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide (CID 103188514) is 1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)Cc1cccc(CN)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide?
The InChIKey is DESGHQJTNSHUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-5-18(13(2)11-17(3)4)21(19,20)12-15-8-6-7-14(9-15)10-16/h6-9,13H,5,10-12,16H2,1-4H3.
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-[1-(dimethylamino)propan-2-yl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 103188514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).