N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine

C12H24N2O3S — CID 55174695

IUPACN-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(S(=O)(=O)CC2CCCO2)C1
InChIInChI=1S/C12H24N2O3S/c1-13-8-11-4-2-6-14(9-11)18(15,16)10-12-5-3-7-17-12/h11-13H,2-10H2,1H3
InChIKeyZLXXUSYXBSTBPC-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.43
Rot. Bonds5

About N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine

N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine (PubChem CID 55174695) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine
PubChem CID55174695
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine
SMILESCNCC1CCCN(S(=O)(=O)CC2CCCO2)C1
InChIInChI=1S/C12H24N2O3S/c1-13-8-11-4-2-6-14(9-11)18(15,16)10-12-5-3-7-17-12/h11-13H,2-10H2,1H3
InChIKeyZLXXUSYXBSTBPC-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine (CID 55174695) is N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine is CNCC1CCCN(S(=O)(=O)CC2CCCO2)C1.
What is the InChIKey of N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine?
The InChIKey is ZLXXUSYXBSTBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-13-8-11-4-2-6-14(9-11)18(15,16)10-12-5-3-7-17-12/h11-13H,2-10H2,1H3.
What are the key properties of N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine?
N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine has a molecular weight of 276.40 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 55174695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).