N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine

C15H26N2O2S — CID 115900683

IUPACN-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCCS(=O)(=O)CC(C)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-5-20(18,19)12-13(2)16-15(11-17(3)4)14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3
InChIKeyOIENGZWZHZXVCZ-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.70
Rot. Bonds8

About N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine

N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 115900683) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID115900683
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCCS(=O)(=O)CC(C)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-5-20(18,19)12-13(2)16-15(11-17(3)4)14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3
InChIKeyOIENGZWZHZXVCZ-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
CID 113350842
N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43203953
1-(4-bromophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-1-amine
CID 115889897
N-[cyclopropyl(phenyl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115898623
N-[1-(4-iodophenyl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43768392
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine
CID 43768398
N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 63945877
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
CID 78881535
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 107904840
N-benzhydryl-1-methylsulfonylpropan-2-amine
CID 64629502

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine (CID 115900683) is N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine is CCS(=O)(=O)CC(C)NC(CN(C)C)c1ccccc1.
What is the InChIKey of N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is OIENGZWZHZXVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-20(18,19)12-13(2)16-15(11-17(3)4)14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3.
What are the key properties of N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine?
N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 298.45 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 115900683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).