N-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine

C15H25N3O2S — CID 79563479

IUPACN-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine
SMILESCC(C)(CNC1CCN(c2ccncc2)CC1)S(C)(=O)=O
InChIInChI=1S/C15H25N3O2S/c1-15(2,21(3,19)20)12-17-13-6-10-18(11-7-13)14-4-8-16-9-5-14/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3
InChIKeyPNVWRUGGVMZTTN-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.46
Rot. Bonds5

About N-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine

N-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine (PubChem CID 79563479) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine
PubChem CID79563479
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine
SMILESCC(C)(CNC1CCN(c2ccncc2)CC1)S(C)(=O)=O
InChIInChI=1S/C15H25N3O2S/c1-15(2,21(3,19)20)12-17-13-6-10-18(11-7-13)14-4-8-16-9-5-14/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3
InChIKeyPNVWRUGGVMZTTN-UHFFFAOYSA-N
XLogP1.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine?
The IUPAC name of N-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine (CID 79563479) is N-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine.
What is the SMILES notation for N-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine?
The canonical SMILES for N-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine is CC(C)(CNC1CCN(c2ccncc2)CC1)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine?
The InChIKey is PNVWRUGGVMZTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-15(2,21(3,19)20)12-17-13-6-10-18(11-7-13)14-4-8-16-9-5-14/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3.
What are the key properties of N-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine?
N-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine has a molecular weight of 311.45 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine is sourced from PubChem (CID 79563479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).