N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine

C13H22N2O2S — CID 113245480

IUPACN-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine
SMILESCC(C)(C)S(=O)(=O)CCNCCc1ccccn1
InChIInChI=1S/C13H22N2O2S/c1-13(2,3)18(16,17)11-10-14-9-7-12-6-4-5-8-15-12/h4-6,8,14H,7,9-11H2,1-3H3
InChIKeyHOPPNBICQAMOQD-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.43
Rot. Bonds6

About N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine

N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine (PubChem CID 113245480) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine
PubChem CID113245480
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine
SMILESCC(C)(C)S(=O)(=O)CCNCCc1ccccn1
InChIInChI=1S/C13H22N2O2S/c1-13(2,3)18(16,17)11-10-14-9-7-12-6-4-5-8-15-12/h4-6,8,14H,7,9-11H2,1-3H3
InChIKeyHOPPNBICQAMOQD-UHFFFAOYSA-N
XLogP1.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.43
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-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
1-(2-tert-butylsulfonylethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111573862
N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 60648012
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814
2-[3-(2-pyridin-2-ylethylamino)propoxy]propan-2-ol
CID 134462825
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol
CID 106146853
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 83168922
N-methyl-2-pyridin-2-ylethanamine;hydroiodide
CID 135260552

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine?
The IUPAC name of N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine (CID 113245480) is N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine is CC(C)(C)S(=O)(=O)CCNCCc1ccccn1.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine?
The InChIKey is HOPPNBICQAMOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-13(2,3)18(16,17)11-10-14-9-7-12-6-4-5-8-15-12/h4-6,8,14H,7,9-11H2,1-3H3.
What are the key properties of N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine?
N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine has a molecular weight of 270.40 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine is sourced from PubChem (CID 113245480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).