N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

C15H26N2O3S — CID 79788512

IUPACN-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCS(=O)(=O)CCCOc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C15H26N2O3S/c1-5-21(18,19)10-6-9-20-14-8-7-13(16-12-14)11-17-15(2,3)4/h7-8,12,17H,5-6,9-11H2,1-4H3
InChIKeyYIRSTAFITZVMSV-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.17
Rot. Bonds8

About N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 79788512) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID79788512
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCS(=O)(=O)CCCOc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C15H26N2O3S/c1-5-21(18,19)10-6-9-20-14-8-7-13(16-12-14)11-17-15(2,3)4/h7-8,12,17H,5-6,9-11H2,1-4H3
InChIKeyYIRSTAFITZVMSV-UHFFFAOYSA-N
XLogP2.17
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 104647123
2-methyl-N-[[5-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794003
3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide
CID 79784063
N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 79794973
1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine
CID 79795841
N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 82927537
3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol
CID 114492175
2-methyl-N-[[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794362
2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 79788538
N-[[5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79783462
N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783246
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79784061

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 79788512) is N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is CCS(=O)(=O)CCCOc1ccc(CNC(C)(C)C)nc1.
What is the InChIKey of N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is YIRSTAFITZVMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-21(18,19)10-6-9-20-14-8-7-13(16-12-14)11-17-15(2,3)4/h7-8,12,17H,5-6,9-11H2,1-4H3.
What are the key properties of N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 314.45 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79788512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).