N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylmethanimine

C16H18N2O3S2 — CID 3579489

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylmethanimine
SMILESCc1ccc(/N=C/c2cccs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H18N2O3S2/c1-13-4-5-14(17-12-15-3-2-10-22-15)11-16(13)23(19,20)18-6-8-21-9-7-18/h2-5,10-12H,6-9H2,1H3/b17-12+
InChIKeyNWHMRRXELCILPD-SFQUDFHCSA-N
MW350.47 g/mol
LogP2.83
Rot. Bonds4

About N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylmethanimine

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylmethanimine (PubChem CID 3579489) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylmethanimine
PubChem CID3579489
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylmethanimine
SMILESCc1ccc(/N=C/c2cccs2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C16H18N2O3S2/c1-13-4-5-14(17-12-15-3-2-10-22-15)11-16(13)23(19,20)18-6-8-21-9-7-18/h2-5,10-12H,6-9H2,1H3/b17-12+
InChIKeyNWHMRRXELCILPD-SFQUDFHCSA-N
XLogP2.83
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(5-isocyanato-2-methylphenyl)sulfonylmorpholine
CID 169354432
4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064
4-[5-(benzenesulfonyl)-2-methylphenyl]sulfonylmorpholine
CID 1097196
(4-methyl-3-morpholin-4-ylsulfonylphenyl)boronic acid
CID 91759049
4-morpholin-4-ylsulfonyl-2-nitro-N-(thiophen-2-ylmethylideneamino)aniline
CID 5098433
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7035921
N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine
CID 4105745
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 25434857
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1-(4-nitrophenyl)methanimine
CID 5172630
4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine
CID 163403555
(2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124809702
1-(5-bromo-2-methylphenyl)sulfonyl-4-(thiophen-2-ylmethyl)piperazin-4-ium
CID 8814484

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylmethanimine (CID 3579489) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylmethanimine is Cc1ccc(/N=C/c2cccs2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylmethanimine?
The InChIKey is NWHMRRXELCILPD-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-13-4-5-14(17-12-15-3-2-10-22-15)11-16(13)23(19,20)18-6-8-21-9-7-18/h2-5,10-12H,6-9H2,1H3/b17-12+.
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylmethanimine?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylmethanimine has a molecular weight of 350.47 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 3579489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).