2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide

C12H21N3O2S — CID 82945773

IUPAC2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)c1ccccc1CN
InChIInChI=1S/C12H21N3O2S/c1-10(9-15(2)3)14-18(16,17)12-7-5-4-6-11(12)8-13/h4-7,10,14H,8-9,13H2,1-3H3
InChIKeyMNFFCVMNPGDCDI-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.37
Rot. Bonds6

About 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide

2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide (PubChem CID 82945773) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
PubChem CID82945773
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)c1ccccc1CN
InChIInChI=1S/C12H21N3O2S/c1-10(9-15(2)3)14-18(16,17)12-7-5-4-6-11(12)8-13/h4-7,10,14H,8-9,13H2,1-3H3
InChIKeyMNFFCVMNPGDCDI-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide (CID 82945773) is 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide is CC(CN(C)C)NS(=O)(=O)c1ccccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide?
The InChIKey is MNFFCVMNPGDCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(9-15(2)3)14-18(16,17)12-7-5-4-6-11(12)8-13/h4-7,10,14H,8-9,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide?
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide has a molecular weight of 271.39 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 82945773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).