1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine

C11H16Cl2N2O2S — CID 79780243

IUPAC1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-3-14-10(4-5-18(2,16)17)11-9(13)6-8(12)7-15-11/h6-7,10,14H,3-5H2,1-2H3
InChIKeyNYTLTPZNZZFQOC-UHFFFAOYSA-N
MW311.23 g/mol
LogP2.47
Rot. Bonds6

About 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine

1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine (PubChem CID 79780243) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine
PubChem CID79780243
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2O2S/c1-3-14-10(4-5-18(2,16)17)11-9(13)6-8(12)7-15-11/h6-7,10,14H,3-5H2,1-2H3
InChIKeyNYTLTPZNZZFQOC-UHFFFAOYSA-N
XLogP2.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine (CID 79780243) is 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine is CCNC(CCS(C)(=O)=O)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine?
The InChIKey is NYTLTPZNZZFQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S/c1-3-14-10(4-5-18(2,16)17)11-9(13)6-8(12)7-15-11/h6-7,10,14H,3-5H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine?
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine has a molecular weight of 311.23 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 79780243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).