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

C14H26N4O2S — CID 63879798

IUPAC2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(S(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C14H26N4O2S/c1-12(2)8-15-9-13-4-6-18(7-5-13)21(19,20)14-10-17(3)11-16-14/h10-13,15H,4-9H2,1-3H3
InChIKeyQYNRBADPRGMZGM-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.07
Rot. Bonds6

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

2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine (PubChem CID 63879798) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
PubChem CID63879798
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCN(S(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C14H26N4O2S/c1-12(2)8-15-9-13-4-6-18(7-5-13)21(19,20)14-10-17(3)11-16-14/h10-13,15H,4-9H2,1-3H3
InChIKeyQYNRBADPRGMZGM-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine (CID 63879798) is 2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine is CC(C)CNCC1CCN(S(=O)(=O)c2cn(C)cn2)CC1.
What is the InChIKey of 2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine?
The InChIKey is QYNRBADPRGMZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-12(2)8-15-9-13-4-6-18(7-5-13)21(19,20)14-10-17(3)11-16-14/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine has a molecular weight of 314.46 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 63879798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).