N-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide

C12H24N2O3S — CID 54972335

IUPACN-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C12H24N2O3S/c1-14(12-4-8-17-9-5-12)18(15,16)10-11-2-6-13-7-3-11/h11-13H,2-10H2,1H3
InChIKeyBSMHBAUGUKPXFI-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.43
Rot. Bonds4

About N-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide

N-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide (PubChem CID 54972335) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide
PubChem CID54972335
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)CC1CCNCC1
InChIInChI=1S/C12H24N2O3S/c1-14(12-4-8-17-9-5-12)18(15,16)10-11-2-6-13-7-3-11/h11-13H,2-10H2,1H3
InChIKeyBSMHBAUGUKPXFI-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide (CID 54972335) is N-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide is CN(C1CCOCC1)S(=O)(=O)CC1CCNCC1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is BSMHBAUGUKPXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-14(12-4-8-17-9-5-12)18(15,16)10-11-2-6-13-7-3-11/h11-13H,2-10H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide?
N-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 54972335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).