1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine

C12H19ClN4O2S — CID 63169046

IUPAC1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cnc(Cl)nc2)C1
InChIInChI=1S/C12H19ClN4O2S/c1-3-16(4-2)10-5-6-17(9-10)20(18,19)11-7-14-12(13)15-8-11/h7-8,10H,3-6,9H2,1-2H3
InChIKeyFHYGQDFZJKPSHZ-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.23
Rot. Bonds5

About 1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine

1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine (PubChem CID 63169046) has the molecular formula C12H19ClN4O2S and a molecular weight of 318.83 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine
PubChem CID63169046
Molecular FormulaC12H19ClN4O2S
Molecular Weight318.83 g/mol
Exact Mass318.09
IUPAC Name1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2cnc(Cl)nc2)C1
InChIInChI=1S/C12H19ClN4O2S/c1-3-16(4-2)10-5-6-17(9-10)20(18,19)11-7-14-12(13)15-8-11/h7-8,10H,3-6,9H2,1-2H3
InChIKeyFHYGQDFZJKPSHZ-UHFFFAOYSA-N
XLogP1.23
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine (CID 63169046) is 1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(S(=O)(=O)c2cnc(Cl)nc2)C1.
What is the InChIKey of 1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
The InChIKey is FHYGQDFZJKPSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2S/c1-3-16(4-2)10-5-6-17(9-10)20(18,19)11-7-14-12(13)15-8-11/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine?
1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine has a molecular weight of 318.83 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-5-yl)sulfonyl-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63169046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).