N,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine

C13H24N4O2S — CID 127245167

IUPACN,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
SMILESCN(C)CCC1CCCCN1S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C13H24N4O2S/c1-15(2)9-7-12-6-4-5-8-17(12)20(18,19)13-10-16(3)11-14-13/h10-12H,4-9H2,1-3H3
InChIKeyJTRBPPOHEYTLTI-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.92
Rot. Bonds5

About N,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine

N,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine (PubChem CID 127245167) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
PubChem CID127245167
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
SMILESCN(C)CCC1CCCCN1S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C13H24N4O2S/c1-15(2)9-7-12-6-4-5-8-17(12)20(18,19)13-10-16(3)11-14-13/h10-12H,4-9H2,1-3H3
InChIKeyJTRBPPOHEYTLTI-UHFFFAOYSA-N
XLogP0.92
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine (CID 127245167) is N,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine is CN(C)CCC1CCCCN1S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine?
The InChIKey is JTRBPPOHEYTLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-15(2)9-7-12-6-4-5-8-17(12)20(18,19)13-10-16(3)11-14-13/h10-12H,4-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine?
N,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine has a molecular weight of 300.43 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine is sourced from PubChem (CID 127245167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).