N'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine

C12H28N2O2S — CID 106725718

IUPACN'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine
SMILESCCNCCN(CC)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H28N2O2S/c1-6-13-8-9-14(7-2)10-11-17(15,16)12(3,4)5/h13H,6-11H2,1-5H3
InChIKeyJXEBBHCYNFGAHM-UHFFFAOYSA-N
MW264.43 g/mol
LogP1.13
Rot. Bonds8

About N'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine

N'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine (PubChem CID 106725718) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine
PubChem CID106725718
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine
SMILESCCNCCN(CC)CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H28N2O2S/c1-6-13-8-9-14(7-2)10-11-17(15,16)12(3,4)5/h13H,6-11H2,1-5H3
InChIKeyJXEBBHCYNFGAHM-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-tert-butylsulfonyl-N-ethylpropan-1-amine
CID 64645773
3-[2-tert-butylsulfonylethyl(ethyl)amino]propanenitrile
CID 103722467
propane;N,N',N'-triethylethane-1,2-diamine
CID 157059256
N,N'-diethyl-N'-hexadecylethane-1,2-diamine
CID 154098014
N,N'-diethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 18965073
2-tert-butylsulfonyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 106728026
N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine
CID 165346498
N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63860753
2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol
CID 103710302
2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide
CID 106724307
4-tert-butylsulfonyl-1-(ethylamino)-2-methylbutan-2-ol
CID 106734260
2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(ethylamino)ethyl]amino]ethyl]amino]ethyl-ethylamino]acetic acid
CID 175812978

Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine?
The IUPAC name of N'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine (CID 106725718) is N'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine?
The canonical SMILES for N'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine is CCNCCN(CC)CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of N'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine?
The InChIKey is JXEBBHCYNFGAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-6-13-8-9-14(7-2)10-11-17(15,16)12(3,4)5/h13H,6-11H2,1-5H3.
What are the key properties of N'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine?
N'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine has a molecular weight of 264.43 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylsulfonylethyl)-N,N'-diethylethane-1,2-diamine is sourced from PubChem (CID 106725718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).