1-methylsulfonyl-N-(oxan-2-ylmethyl)piperidin-4-amine

C12H24N2O3S — CID 43628910

IUPAC1-methylsulfonyl-N-(oxan-2-ylmethyl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC2CCCCO2)CC1
InChIInChI=1S/C12H24N2O3S/c1-18(15,16)14-7-5-11(6-8-14)13-10-12-4-2-3-9-17-12/h11-13H,2-10H2,1H3
InChIKeyQWYJDSQGMYMEQT-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.57
Rot. Bonds4

About 1-methylsulfonyl-N-(oxan-2-ylmethyl)piperidin-4-amine

1-methylsulfonyl-N-(oxan-2-ylmethyl)piperidin-4-amine (PubChem CID 43628910) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(oxan-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(oxan-2-ylmethyl)piperidin-4-amine
PubChem CID43628910
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name1-methylsulfonyl-N-(oxan-2-ylmethyl)piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC2CCCCO2)CC1
InChIInChI=1S/C12H24N2O3S/c1-18(15,16)14-7-5-11(6-8-14)13-10-12-4-2-3-9-17-12/h11-13H,2-10H2,1H3
InChIKeyQWYJDSQGMYMEQT-UHFFFAOYSA-N
XLogP0.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(oxan-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-(oxan-2-ylmethyl)piperidin-4-amine (CID 43628910) is 1-methylsulfonyl-N-(oxan-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(oxan-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-(oxan-2-ylmethyl)piperidin-4-amine is CS(=O)(=O)N1CCC(NCC2CCCCO2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(oxan-2-ylmethyl)piperidin-4-amine?
The InChIKey is QWYJDSQGMYMEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-18(15,16)14-7-5-11(6-8-14)13-10-12-4-2-3-9-17-12/h11-13H,2-10H2,1H3.
What are the key properties of 1-methylsulfonyl-N-(oxan-2-ylmethyl)piperidin-4-amine?
1-methylsulfonyl-N-(oxan-2-ylmethyl)piperidin-4-amine has a molecular weight of 276.40 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(oxan-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 43628910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).