N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline

C16H20N2O3S2 — CID 110364270

IUPACN,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline
SMILESCN(C)c1ccc(C2CN(S(=O)(=O)c3cccs3)CCO2)cc1
InChIInChI=1S/C16H20N2O3S2/c1-17(2)14-7-5-13(6-8-14)15-12-18(9-10-21-15)23(19,20)16-4-3-11-22-16/h3-8,11,15H,9-10,12H2,1-2H3
InChIKeyGXRSLQNXQAMYSH-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.58
Rot. Bonds4

About N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline

N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline (PubChem CID 110364270) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline
PubChem CID110364270
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC NameN,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline
SMILESCN(C)c1ccc(C2CN(S(=O)(=O)c3cccs3)CCO2)cc1
InChIInChI=1S/C16H20N2O3S2/c1-17(2)14-7-5-13(6-8-14)15-12-18(9-10-21-15)23(19,20)16-4-3-11-22-16/h3-8,11,15H,9-10,12H2,1-2H3
InChIKeyGXRSLQNXQAMYSH-UHFFFAOYSA-N
XLogP2.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-pyrazin-2-yl-4-thiophen-2-ylsulfonylmorpholine
CID 124961088
2-pyrazin-2-yl-4-thiophen-2-ylsulfonylmorpholine
CID 127246278
4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]morpholin-2-yl]-N,N-dimethylaniline
CID 110364286
[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-thiophen-2-ylmethanone
CID 110364184
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)aniline
CID 113078798
1-[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110364204
4-methyl-2-[(2R)-4-thiophen-2-ylsulfonylmorpholin-2-yl]-1H-pyrimidin-6-one
CID 137140127
(2R)-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 25281404
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
N,N-dimethyl-2-(4-methylphenyl)morpholine-4-sulfonamide
CID 110326565
(5aR,9aR)-4-propan-2-yl-8-thiophen-2-ylsulfonyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 125182074
2-(4-chlorophenyl)-N,N-dimethylmorpholine-4-sulfonamide
CID 47320271

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline (CID 110364270) is N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline is CN(C)c1ccc(C2CN(S(=O)(=O)c3cccs3)CCO2)cc1.
What is the InChIKey of N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline?
The InChIKey is GXRSLQNXQAMYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-17(2)14-7-5-13(6-8-14)15-12-18(9-10-21-15)23(19,20)16-4-3-11-22-16/h3-8,11,15H,9-10,12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline?
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline has a molecular weight of 352.48 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-thiophen-2-ylsulfonylmorpholin-2-yl)aniline is sourced from PubChem (CID 110364270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).