1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine

C12H28N2O2S — CID 106723490

IUPAC1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H28N2O2S/c1-11(2,3)17(15,16)9-8-13-10-12(4,5)14(6)7/h13H,8-10H2,1-7H3
InChIKeyFGYFVHSLVMLKIA-UHFFFAOYSA-N
MW264.43 g/mol
LogP1.13
Rot. Bonds6

About 1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 106723490) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is 1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID106723490
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC Name1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H28N2O2S/c1-11(2,3)17(15,16)9-8-13-10-12(4,5)14(6)7/h13H,8-10H2,1-7H3
InChIKeyFGYFVHSLVMLKIA-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide
CID 106723195
2-(2-tert-butylsulfonylethyl)-1,1-dimethylhydrazine
CID 106724235
N-(2-tert-butylsulfonylethyl)prop-2-en-1-amine
CID 103710245
N-(2-tert-butylsulfonylethyl)-2-cyclopropylsulfonyl-2-methylpropan-1-amine
CID 138577819
1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 107444652
N-(2-tert-butylsulfonylethyl)-2-methylsulfinylpropan-1-amine
CID 106724446
2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide
CID 106724307
N-(2-tert-butylsulfonylethyl)-3-methylsulfinylbutan-1-amine
CID 106724475
2-(2-tert-butylsulfonylethylamino)-N-methylacetamide
CID 106723192
N-(2-tert-butylsulfonylethyl)-2-(3-methylbutoxy)ethanamine
CID 106723536
2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine
CID 114472186
4-tert-butylsulfonyl-2-methyl-1-(propylamino)butan-2-ol
CID 106734264

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 106723490) is 1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)CNCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is FGYFVHSLVMLKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-11(2,3)17(15,16)9-8-13-10-12(4,5)14(6)7/h13H,8-10H2,1-7H3.
What are the key properties of 1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 264.43 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 106723490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).