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

C13H23N3O2S — CID 106074393

IUPAC3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(CN)cccc1S(=O)(=O)NC(C)CN(C)C
InChIInChI=1S/C13H23N3O2S/c1-10(9-16(3)4)15-19(17,18)13-7-5-6-12(8-14)11(13)2/h5-7,10,15H,8-9,14H2,1-4H3
InChIKeyRTPKHJCULZUXPS-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.68
Rot. Bonds6

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

3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide (PubChem CID 106074393) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
PubChem CID106074393
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
SMILESCc1c(CN)cccc1S(=O)(=O)NC(C)CN(C)C
InChIInChI=1S/C13H23N3O2S/c1-10(9-16(3)4)15-19(17,18)13-7-5-6-12(8-14)11(13)2/h5-7,10,15H,8-9,14H2,1-4H3
InChIKeyRTPKHJCULZUXPS-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945773
3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide
CID 106054898
N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 82949892
3-(aminomethyl)-N-[4-(dimethylamino)butyl]-2-methylbenzenesulfonamide
CID 106051784
3-(aminomethyl)-2-methyl-N-octan-4-ylbenzenesulfonamide
CID 106094704
3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 106021295
3-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-2-methylbenzenesulfonamide
CID 106094144
3-(aminomethyl)-2-methyl-N-(1-thiophen-2-ylpropyl)benzenesulfonamide
CID 106053446
3-amino-5-chloro-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 114380051
3-(aminomethyl)-2-methyl-N-pentylbenzenesulfonamide
CID 106058253
N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
CID 82939246
N-[1-(dimethylamino)propan-2-yl]-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 106074335

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide (CID 106074393) is 3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide is Cc1c(CN)cccc1S(=O)(=O)NC(C)CN(C)C.
What is the InChIKey of 3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is RTPKHJCULZUXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-10(9-16(3)4)15-19(17,18)13-7-5-6-12(8-14)11(13)2/h5-7,10,15H,8-9,14H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide?
3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 106074393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).