1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide

C14H18N2O3S — CID 71977809

IUPAC1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide
SMILESCN(CC1CCOC1)S(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C14H18N2O3S/c1-16(9-14-5-6-19-10-14)20(17,18)11-13-4-2-3-12(7-13)8-15/h2-4,7,14H,5-6,9-11H2,1H3
InChIKeyNQUPQOBYGZCGSR-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.36
Rot. Bonds5

About 1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide

1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide (PubChem CID 71977809) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide
PubChem CID71977809
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide
SMILESCN(CC1CCOC1)S(=O)(=O)Cc1cccc(C#N)c1
InChIInChI=1S/C14H18N2O3S/c1-16(9-14-5-6-19-10-14)20(17,18)11-13-4-2-3-12(7-13)8-15/h2-4,7,14H,5-6,9-11H2,1H3
InChIKeyNQUPQOBYGZCGSR-UHFFFAOYSA-N
XLogP1.36
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide
CID 63707699
1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide
CID 63725048
3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63708026
1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide
CID 91905216
N-[(3-cyanophenyl)methylsulfonyl]-3-(oxolan-3-yl)propanamide
CID 102559289
N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide
CID 79113614
1-(3-cyanophenyl)-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
CID 54879646
3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 47209992
N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 64987558
N-(3-amino-4-methylpentyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 119992112
3-[(2-methyloxolan-3-yl)sulfonylmethyl]benzonitrile
CID 113336436
1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82741380

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide (CID 71977809) is 1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide is CN(CC1CCOC1)S(=O)(=O)Cc1cccc(C#N)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide?
The InChIKey is NQUPQOBYGZCGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-16(9-14-5-6-19-10-14)20(17,18)11-13-4-2-3-12(7-13)8-15/h2-4,7,14H,5-6,9-11H2,1H3.
What are the key properties of 1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide?
1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 71977809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).