1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine

C12H17Cl2N3O2S — CID 64606820

IUPAC1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H17Cl2N3O2S/c1-16(2)9-3-5-17(6-4-9)20(18,19)10-7-11(13)12(14)15-8-10/h7-9H,3-6H2,1-2H3
InChIKeyRQXVRUZLWOPGLY-UHFFFAOYSA-N
MW338.26 g/mol
LogP2.10
Rot. Bonds3

About 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine

1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 64606820) has the molecular formula C12H17Cl2N3O2S and a molecular weight of 338.26 g/mol. Its IUPAC name is 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
PubChem CID64606820
Molecular FormulaC12H17Cl2N3O2S
Molecular Weight338.26 g/mol
Exact Mass337.04
IUPAC Name1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H17Cl2N3O2S/c1-16(2)9-3-5-17(6-4-9)20(18,19)10-7-11(13)12(14)15-8-10/h7-9H,3-6H2,1-2H3
InChIKeyRQXVRUZLWOPGLY-UHFFFAOYSA-N
XLogP2.10
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine (CID 64606820) is 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is RQXVRUZLWOPGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O2S/c1-16(2)9-3-5-17(6-4-9)20(18,19)10-7-11(13)12(14)15-8-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine?
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 338.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 64606820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).