N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide

C12H18N2O3S — CID 154739901

IUPACN-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide
SMILESCN(CC1CCCOC1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C12H18N2O3S/c1-14(9-11-4-3-7-17-10-11)18(15,16)12-5-2-6-13-8-12/h2,5-6,8,11H,3-4,7,9-10H2,1H3
InChIKeyFCDIZYWMSZHSGL-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.13
Rot. Bonds4

About N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide

N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide (PubChem CID 154739901) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide
PubChem CID154739901
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide
SMILESCN(CC1CCCOC1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C12H18N2O3S/c1-14(9-11-4-3-7-17-10-11)18(15,16)12-5-2-6-13-8-12/h2,5-6,8,11H,3-4,7,9-10H2,1H3
InChIKeyFCDIZYWMSZHSGL-UHFFFAOYSA-N
XLogP1.13
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide (CID 154739901) is N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide is CN(CC1CCCOC1)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is FCDIZYWMSZHSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-14(9-11-4-3-7-17-10-11)18(15,16)12-5-2-6-13-8-12/h2,5-6,8,11H,3-4,7,9-10H2,1H3.
What are the key properties of N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide?
N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 154739901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).