2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine

C15H25N3O2S — CID 63878235

IUPAC2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)17-11-13-6-9-18(10-7-13)21(19,20)14-5-4-8-16-12-14/h4-5,8,12-13,17H,6-7,9-11H2,1-3H3
InChIKeyXLFZTAKOHKNVMF-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.87
Rot. Bonds4

About 2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine

2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine (PubChem CID 63878235) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
PubChem CID63878235
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)17-11-13-6-9-18(10-7-13)21(19,20)14-5-4-8-16-12-14/h4-5,8,12-13,17H,6-7,9-11H2,1-3H3
InChIKeyXLFZTAKOHKNVMF-UHFFFAOYSA-N
XLogP1.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-tert-butyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521047
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propane-2-sulfonamide
CID 90521218
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 90521524
N-propyl-N'-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521045
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458
1-(3,5-dimethylphenyl)-3-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]urea
CID 90521683
N'-(4-methylphenyl)-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521056
3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
CID 90493888
4-methoxy-3-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzenesulfonamide
CID 90521254

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine (CID 63878235) is 2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine is CC(C)(C)NCC1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
The InChIKey is XLFZTAKOHKNVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-15(2,3)17-11-13-6-9-18(10-7-13)21(19,20)14-5-4-8-16-12-14/h4-5,8,12-13,17H,6-7,9-11H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine?
2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine has a molecular weight of 311.45 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 63878235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).