1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide

C15H20N2O3S — CID 63707699

IUPAC1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide
SMILESCN(CC1CCCOC1)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O3S/c1-17(10-15-3-2-8-20-11-15)21(18,19)12-14-6-4-13(9-16)5-7-14/h4-7,15H,2-3,8,10-12H2,1H3
InChIKeyRUZLLLQAPYCASX-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.75
Rot. Bonds5

About 1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide

1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide (PubChem CID 63707699) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide
PubChem CID63707699
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide
SMILESCN(CC1CCCOC1)S(=O)(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O3S/c1-17(10-15-3-2-8-20-11-15)21(18,19)12-14-6-4-13(9-16)5-7-14/h4-7,15H,2-3,8,10-12H2,1H3
InChIKeyRUZLLLQAPYCASX-UHFFFAOYSA-N
XLogP1.75
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide
CID 71977809
1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide
CID 63725048
3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63708026
N-methyl-4-(methylaminomethyl)-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63705715
4-[1-hydroxy-2-[methyl(oxan-3-ylmethyl)amino]ethyl]benzonitrile
CID 63712020
1-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]-N-methylmethanesulfonamide
CID 55225990
N-methyl-N-(oxan-3-ylmethyl)sulfamoyl chloride
CID 63726478
1-(4-cyanophenyl)-N-methyl-N-(2-methylpropyl)methanesulfonamide
CID 43272243
3-[(4-cyanophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
CID 71646874
2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N,N-dimethylacetamide
CID 43216444
3-(5-cyano-2-fluorophenyl)-1-methyl-1-(oxan-3-ylmethyl)urea
CID 127266309
2-(ethylamino)-N-methyl-N-(oxan-3-ylmethyl)ethanesulfonamide
CID 55225682

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide (CID 63707699) is 1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide is CN(CC1CCCOC1)S(=O)(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide?
The InChIKey is RUZLLLQAPYCASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-17(10-15-3-2-8-20-11-15)21(18,19)12-14-6-4-13(9-16)5-7-14/h4-7,15H,2-3,8,10-12H2,1H3.
What are the key properties of 1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide?
1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 63707699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).