N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine

C14H26N4O2S — CID 79369882

IUPACN-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine
SMILESCCn1cnc(S(=O)(=O)N2CCC(CNC(C)C)CC2)c1
InChIInChI=1S/C14H26N4O2S/c1-4-17-10-14(16-11-17)21(19,20)18-7-5-13(6-8-18)9-15-12(2)3/h10-13,15H,4-9H2,1-3H3
InChIKeyHPVMLFOTNOYRDZ-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.30
Rot. Bonds6

About N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine

N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine (PubChem CID 79369882) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine
PubChem CID79369882
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine
SMILESCCn1cnc(S(=O)(=O)N2CCC(CNC(C)C)CC2)c1
InChIInChI=1S/C14H26N4O2S/c1-4-17-10-14(16-11-17)21(19,20)18-7-5-13(6-8-18)9-15-12(2)3/h10-13,15H,4-9H2,1-3H3
InChIKeyHPVMLFOTNOYRDZ-UHFFFAOYSA-N
XLogP1.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine (CID 79369882) is N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine is CCn1cnc(S(=O)(=O)N2CCC(CNC(C)C)CC2)c1.
What is the InChIKey of N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine?
The InChIKey is HPVMLFOTNOYRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-17-10-14(16-11-17)21(19,20)18-7-5-13(6-8-18)9-15-12(2)3/h10-13,15H,4-9H2,1-3H3.
What are the key properties of N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine?
N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine has a molecular weight of 314.46 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79369882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).