1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide

C14H19N3O2S2 — CID 106325562

IUPAC1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NCCN2CCSCC2)cc1
InChIInChI=1S/C14H19N3O2S2/c15-11-13-1-3-14(4-2-13)12-21(18,19)16-5-6-17-7-9-20-10-8-17/h1-4,16H,5-10,12H2
InChIKeyMLBVGFNJLJVMCV-UHFFFAOYSA-N
MW325.46 g/mol
LogP1.03
Rot. Bonds6

About 1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide

1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide (PubChem CID 106325562) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide
PubChem CID106325562
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)NCCN2CCSCC2)cc1
InChIInChI=1S/C14H19N3O2S2/c15-11-13-1-3-14(4-2-13)12-21(18,19)16-5-6-17-7-9-20-10-8-17/h1-4,16H,5-10,12H2
InChIKeyMLBVGFNJLJVMCV-UHFFFAOYSA-N
XLogP1.03
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Phenylethenesulfonyl)piperazine
CID 5893769
1-Phenylmethanesulfonylpiperazine
CID 2512733
N-[2-(Diethylamino)ethyl]-1-(4-Methylphenyl)methanesulfonamide
CID 71677771
N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)methanesulfonamide
CID 17611220
Diethyl-[2-[(4-methylphenyl)methylsulfonylamino]ethyl]azanium
CID 78225517
[Benzylsulfonyl](2-piperidylethyl)amine
CID 2970680
1-[2-[(4-Fluorophenyl)methylsulfonyl]ethyl]piperazine
CID 4914501
1-[2-[(4-Fluorophenyl)methylsulfonyl]ethyl]piperazine-1,4-diium
CID 7061655
1-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide
CID 17617433
1-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide
CID 17638784
1-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 43605165
1-(3-fluoro-4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide
CID 91652065

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide (CID 106325562) is 1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide is N#Cc1ccc(CS(=O)(=O)NCCN2CCSCC2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide?
The InChIKey is MLBVGFNJLJVMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c15-11-13-1-3-14(4-2-13)12-21(18,19)16-5-6-17-7-9-20-10-8-17/h1-4,16H,5-10,12H2.
What are the key properties of 1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide?
1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(2-thiomorpholin-4-ylethyl)methanesulfonamide is sourced from PubChem (CID 106325562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).