1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine

C13H23ClN4O2S — CID 61045933

IUPAC1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C13H23ClN4O2S/c1-4-17(5-2)11-6-8-18(9-7-11)21(19,20)13-12(14)16(3)10-15-13/h10-11H,4-9H2,1-3H3
InChIKeyAZXAPMPZCRDMED-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.57
Rot. Bonds5

About 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine

1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine (PubChem CID 61045933) has the molecular formula C13H23ClN4O2S and a molecular weight of 334.87 g/mol. Its IUPAC name is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine
PubChem CID61045933
Molecular FormulaC13H23ClN4O2S
Molecular Weight334.87 g/mol
Exact Mass334.12
IUPAC Name1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine
SMILESCCN(CC)C1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C13H23ClN4O2S/c1-4-17(5-2)11-6-8-18(9-7-11)21(19,20)13-12(14)16(3)10-15-13/h10-11H,4-9H2,1-3H3
InChIKeyAZXAPMPZCRDMED-UHFFFAOYSA-N
XLogP1.57
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine?
The IUPAC name of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine (CID 61045933) is 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine.
What is the SMILES notation for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine?
The canonical SMILES for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine is CCN(CC)C1CCN(S(=O)(=O)c2ncn(C)c2Cl)CC1.
What is the InChIKey of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine?
The InChIKey is AZXAPMPZCRDMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O2S/c1-4-17(5-2)11-6-8-18(9-7-11)21(19,20)13-12(14)16(3)10-15-13/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine?
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine has a molecular weight of 334.87 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-diethylpiperidin-4-amine is sourced from PubChem (CID 61045933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).