N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide

C12H18N2O3S — CID 170285785

IUPACN-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide
SMILESO=S(=O)(Cc1cccnc1)NCC1CCCOC1
InChIInChI=1S/C12H18N2O3S/c15-18(16,10-12-3-1-5-13-7-12)14-8-11-4-2-6-17-9-11/h1,3,5,7,11,14H,2,4,6,8-10H2
InChIKeyAOVLVEWVOOVGGB-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.93
Rot. Bonds5

About N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide

N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide (PubChem CID 170285785) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide
PubChem CID170285785
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide
SMILESO=S(=O)(Cc1cccnc1)NCC1CCCOC1
InChIInChI=1S/C12H18N2O3S/c15-18(16,10-12-3-1-5-13-7-12)14-8-11-4-2-6-17-9-11/h1,3,5,7,11,14H,2,4,6,8-10H2
InChIKeyAOVLVEWVOOVGGB-UHFFFAOYSA-N
XLogP0.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide?
The IUPAC name of N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide (CID 170285785) is N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide.
What is the SMILES notation for N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide?
The canonical SMILES for N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide is O=S(=O)(Cc1cccnc1)NCC1CCCOC1.
What is the InChIKey of N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide?
The InChIKey is AOVLVEWVOOVGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-18(16,10-12-3-1-5-13-7-12)14-8-11-4-2-6-17-9-11/h1,3,5,7,11,14H,2,4,6,8-10H2.
What are the key properties of N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide?
N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-1-pyridin-3-ylmethanesulfonamide is sourced from PubChem (CID 170285785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).