3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline

C14H24N2O2S — CID 115918712

IUPAC3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline
SMILESCCS(=O)(=O)CC(C)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C14H24N2O2S/c1-5-19(17,18)11-12(2)15-14-8-6-7-13(9-14)10-16(3)4/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyGJTCDECUUSZJGS-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.98
Rot. Bonds7

About 3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline

3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline (PubChem CID 115918712) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline
PubChem CID115918712
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline
SMILESCCS(=O)(=O)CC(C)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C14H24N2O2S/c1-5-19(17,18)11-12(2)15-14-8-6-7-13(9-14)10-16(3)4/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyGJTCDECUUSZJGS-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(dimethylamino)methyl]anilino]propanoic acid
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[3-[(dimethylamino)methyl]phenyl]sulfamic acid
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tert-butyl N-[2-[3-[(dimethylamino)methyl]anilino]propyl]carbamate
CID 103388229
3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline
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CID 114228156
3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43688866
3-ethyl-N-pentan-2-ylaniline
CID 43102191
3-[(dimethylamino)methyl]-N-pentylaniline
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(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
3-[(dimethylamino)methyl]-N-phenylaniline
CID 173320558

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline?
The IUPAC name of 3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline (CID 115918712) is 3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline is CCS(=O)(=O)CC(C)Nc1cccc(CN(C)C)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline?
The InChIKey is GJTCDECUUSZJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-19(17,18)11-12(2)15-14-8-6-7-13(9-14)10-16(3)4/h6-9,12,15H,5,10-11H2,1-4H3.
What are the key properties of 3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline?
3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline has a molecular weight of 284.43 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-(1-ethylsulfonylpropan-2-yl)aniline is sourced from PubChem (CID 115918712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).