1-benzylsulfonyl-N-ethyl-4H-pyridin-4-amine

C14H18N2O2S — CID 139993944

IUPAC1-benzylsulfonyl-N-ethyl-4H-pyridin-4-amine
SMILESCCNC1C=CN(S(=O)(=O)Cc2ccccc2)C=C1
InChIInChI=1S/C14H18N2O2S/c1-2-15-14-8-10-16(11-9-14)19(17,18)12-13-6-4-3-5-7-13/h3-11,14-15H,2,12H2,1H3
InChIKeyUPEVURPIKJGPJZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.84
Rot. Bonds5

About 1-benzylsulfonyl-N-ethyl-4H-pyridin-4-amine

1-benzylsulfonyl-N-ethyl-4H-pyridin-4-amine (PubChem CID 139993944) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-ethyl-4H-pyridin-4-amine.

Molecular Properties

Compound Name1-benzylsulfonyl-N-ethyl-4H-pyridin-4-amine
PubChem CID139993944
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-benzylsulfonyl-N-ethyl-4H-pyridin-4-amine
SMILESCCNC1C=CN(S(=O)(=O)Cc2ccccc2)C=C1
InChIInChI=1S/C14H18N2O2S/c1-2-15-14-8-10-16(11-9-14)19(17,18)12-13-6-4-3-5-7-13/h3-11,14-15H,2,12H2,1H3
InChIKeyUPEVURPIKJGPJZ-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-benzylsulfonyl-3-methylpiperidin-4-ol
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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-ethyl-4H-pyridin-4-amine?
The IUPAC name of 1-benzylsulfonyl-N-ethyl-4H-pyridin-4-amine (CID 139993944) is 1-benzylsulfonyl-N-ethyl-4H-pyridin-4-amine.
What is the SMILES notation for 1-benzylsulfonyl-N-ethyl-4H-pyridin-4-amine?
The canonical SMILES for 1-benzylsulfonyl-N-ethyl-4H-pyridin-4-amine is CCNC1C=CN(S(=O)(=O)Cc2ccccc2)C=C1.
What is the InChIKey of 1-benzylsulfonyl-N-ethyl-4H-pyridin-4-amine?
The InChIKey is UPEVURPIKJGPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-15-14-8-10-16(11-9-14)19(17,18)12-13-6-4-3-5-7-13/h3-11,14-15H,2,12H2,1H3.
What are the key properties of 1-benzylsulfonyl-N-ethyl-4H-pyridin-4-amine?
1-benzylsulfonyl-N-ethyl-4H-pyridin-4-amine has a molecular weight of 278.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-ethyl-4H-pyridin-4-amine is sourced from PubChem (CID 139993944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).