1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine

C14H28N4O2S — CID 83090837

IUPAC1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCN(CCS(C)(=O)=O)C(CN)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C14H28N4O2S/c1-14(2,3)13-11(10-18(5)16-13)12(9-15)17(4)7-8-21(6,19)20/h10,12H,7-9,15H2,1-6H3
InChIKeyAYDFDRISFGIQEH-UHFFFAOYSA-N
MW316.47 g/mol
LogP0.69
Rot. Bonds6

About 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine

1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine (PubChem CID 83090837) has the molecular formula C14H28N4O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
PubChem CID83090837
Molecular FormulaC14H28N4O2S
Molecular Weight316.47 g/mol
Exact Mass316.19
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCN(CCS(C)(=O)=O)C(CN)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C14H28N4O2S/c1-14(2,3)13-11(10-18(5)16-13)12(9-15)17(4)7-8-21(6,19)20/h10,12H,7-9,15H2,1-6H3
InChIKeyAYDFDRISFGIQEH-UHFFFAOYSA-N
XLogP0.69
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 83089584
1-[2-amino-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 83090688
3-amino-N,1-dimethyl-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
CID 79850425
N-(2-ethoxyethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 112669585
N-(2,2-dimethylpropyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 112669374
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 112669268
3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine
CID 103078693
1-(2,5-dimethoxyphenyl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79842302
1-(2,3-dimethoxyphenyl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79841861
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-morpholin-4-ylethanamine
CID 83089493
N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine
CID 79844182
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 83090809

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine (CID 83090837) is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine is CN(CCS(C)(=O)=O)C(CN)c1cn(C)nc1C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The InChIKey is AYDFDRISFGIQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S/c1-14(2,3)13-11(10-18(5)16-13)12(9-15)17(4)7-8-21(6,19)20/h10,12H,7-9,15H2,1-6H3.
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine has a molecular weight of 316.47 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine is sourced from PubChem (CID 83090837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).