N-tert-butyl-N-methyl-1-methylsulfonylpiperidin-3-amine

C11H24N2O2S — CID 59691461

IUPACN-tert-butyl-N-methyl-1-methylsulfonylpiperidin-3-amine
SMILESCN(C1CCCN(S(C)(=O)=O)C1)C(C)(C)C
InChIInChI=1S/C11H24N2O2S/c1-11(2,3)12(4)10-7-6-8-13(9-10)16(5,14)15/h10H,6-9H2,1-5H3
InChIKeyABLYXKUCPXRQDW-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.14
Rot. Bonds2

About N-tert-butyl-N-methyl-1-methylsulfonylpiperidin-3-amine

N-tert-butyl-N-methyl-1-methylsulfonylpiperidin-3-amine (PubChem CID 59691461) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-1-methylsulfonylpiperidin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-1-methylsulfonylpiperidin-3-amine
PubChem CID59691461
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-tert-butyl-N-methyl-1-methylsulfonylpiperidin-3-amine
SMILESCN(C1CCCN(S(C)(=O)=O)C1)C(C)(C)C
InChIInChI=1S/C11H24N2O2S/c1-11(2,3)12(4)10-7-6-8-13(9-10)16(5,14)15/h10H,6-9H2,1-5H3
InChIKeyABLYXKUCPXRQDW-UHFFFAOYSA-N
XLogP1.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-1-methylsulfonylpiperidin-3-amine?
The IUPAC name of N-tert-butyl-N-methyl-1-methylsulfonylpiperidin-3-amine (CID 59691461) is N-tert-butyl-N-methyl-1-methylsulfonylpiperidin-3-amine.
What is the SMILES notation for N-tert-butyl-N-methyl-1-methylsulfonylpiperidin-3-amine?
The canonical SMILES for N-tert-butyl-N-methyl-1-methylsulfonylpiperidin-3-amine is CN(C1CCCN(S(C)(=O)=O)C1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-1-methylsulfonylpiperidin-3-amine?
The InChIKey is ABLYXKUCPXRQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-11(2,3)12(4)10-7-6-8-13(9-10)16(5,14)15/h10H,6-9H2,1-5H3.
What are the key properties of N-tert-butyl-N-methyl-1-methylsulfonylpiperidin-3-amine?
N-tert-butyl-N-methyl-1-methylsulfonylpiperidin-3-amine has a molecular weight of 248.39 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-1-methylsulfonylpiperidin-3-amine is sourced from PubChem (CID 59691461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).