N-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide

C14H18N2O3S — CID 99858240

IUPACN-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC[C@H]1CCCO1)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O3S/c1-20(17,18)16(9-8-14-3-2-10-19-14)13-6-4-12(11-15)5-7-13/h4-7,14H,2-3,8-10H2,1H3/t14-/m1/s1
InChIKeyGPMSMEHUGLFNRN-CQSZACIVSA-N
MW294.38 g/mol
LogP1.89
Rot. Bonds5

About N-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide

N-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide (PubChem CID 99858240) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide
PubChem CID99858240
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CC[C@H]1CCCO1)c1ccc(C#N)cc1
InChIInChI=1S/C14H18N2O3S/c1-20(17,18)16(9-8-14-3-2-10-19-14)13-6-4-12(11-15)5-7-13/h4-7,14H,2-3,8-10H2,1H3/t14-/m1/s1
InChIKeyGPMSMEHUGLFNRN-CQSZACIVSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile
CID 65161052
4-[[methyl-[3-(oxolan-2-yl)propyl]amino]methyl]benzonitrile
CID 77079691
4-[ethyl(oxolan-2-ylmethyl)amino]benzonitrile
CID 61435563
4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 60723752
3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146938
4-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94817152
3-[methyl-[3-(oxolan-2-yl)propyl]amino]benzonitrile
CID 65161053
N-[(4-cyanophenyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 62733317
N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146987
2-cyano-N-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604975
1-[2-(4-cyano-N-methylsulfonylanilino)ethyl]-3-propan-2-ylurea
CID 113072346
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 113145283

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide (CID 99858240) is N-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)N(CC[C@H]1CCCO1)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide?
The InChIKey is GPMSMEHUGLFNRN-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-20(17,18)16(9-8-14-3-2-10-19-14)13-6-4-12(11-15)5-7-13/h4-7,14H,2-3,8-10H2,1H3/t14-/m1/s1.
What are the key properties of N-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide?
N-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-[2-[(2R)-oxolan-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 99858240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).