1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine

C14H24N2O3S — CID 106728424

IUPAC1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCCS(=O)(=O)C(C)(C)C)cn1
InChIInChI=1S/C14H24N2O3S/c1-11(15)9-12-5-6-13(10-16-12)19-7-8-20(17,18)14(2,3)4/h5-6,10-11H,7-9,15H2,1-4H3
InChIKeyIGDHNUCZSQWBIQ-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.56
Rot. Bonds6

About 1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine

1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine (PubChem CID 106728424) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine
PubChem CID106728424
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCCS(=O)(=O)C(C)(C)C)cn1
InChIInChI=1S/C14H24N2O3S/c1-11(15)9-12-5-6-13(10-16-12)19-7-8-20(17,18)14(2,3)4/h5-6,10-11H,7-9,15H2,1-4H3
InChIKeyIGDHNUCZSQWBIQ-UHFFFAOYSA-N
XLogP1.56
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-fluoroethoxy)-2-pyridinyl]propan-2-amine
CID 80694475
1-(5-pentoxy-2-pyridinyl)propan-2-amine
CID 79799904
5-(2-tert-butylsulfonylethoxy)-2-chloropyridine
CID 106735269
1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine
CID 79790646
1-(5-hexoxy-2-pyridinyl)propan-2-amine
CID 79800440
1-(5-decoxy-2-pyridinyl)propan-2-amine
CID 79790628
1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine
CID 79795841
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]acetamide
CID 79800080
1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine
CID 79795581
1-[5-(2-pyridin-2-ylethoxy)-2-pyridinyl]propan-2-amine
CID 79799428
1-[5-[2-(1-methylimidazol-2-yl)ethoxy]-2-pyridinyl]propan-2-amine
CID 114530931
1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine
CID 79799523

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine?
The IUPAC name of 1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine (CID 106728424) is 1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine is CC(N)Cc1ccc(OCCS(=O)(=O)C(C)(C)C)cn1.
What is the InChIKey of 1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine?
The InChIKey is IGDHNUCZSQWBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11(15)9-12-5-6-13(10-16-12)19-7-8-20(17,18)14(2,3)4/h5-6,10-11H,7-9,15H2,1-4H3.
What are the key properties of 1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine?
1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine has a molecular weight of 300.42 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-tert-butylsulfonylethoxy)-2-pyridinyl]propan-2-amine is sourced from PubChem (CID 106728424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).