N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide

C15H25N3O4S — CID 94018205

IUPACN-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide
SMILESCOc1cccc([C@@H](CNS(=O)(=O)N2CCOCC2)N(C)C)c1
InChIInChI=1S/C15H25N3O4S/c1-17(2)15(13-5-4-6-14(11-13)21-3)12-16-23(19,20)18-7-9-22-10-8-18/h4-6,11,15-16H,7-10,12H2,1-3H3/t15-/m1/s1
InChIKeyGBPDVSMGDBZEDM-OAHLLOKOSA-N
MW343.45 g/mol
LogP0.46
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide

N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide (PubChem CID 94018205) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide
PubChem CID94018205
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide
SMILESCOc1cccc([C@@H](CNS(=O)(=O)N2CCOCC2)N(C)C)c1
InChIInChI=1S/C15H25N3O4S/c1-17(2)15(13-5-4-6-14(11-13)21-3)12-16-23(19,20)18-7-9-22-10-8-18/h4-6,11,15-16H,7-10,12H2,1-3H3/t15-/m1/s1
InChIKeyGBPDVSMGDBZEDM-OAHLLOKOSA-N
XLogP0.46
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387137
N-[(2S)-2-methoxy-2-phenylethyl]morpholine-4-sulfonamide
CID 94024917
(E)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylethenesulfonamide
CID 51169691
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 51473251
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 45003249
N-[2-(dimethylamino)-2-phenylethyl]piperazine-1-sulfonamide
CID 61252712
N-[(4-methoxyphenyl)methyl]morpholine-4-sulfonamide
CID 51335175
N-(2-hydroxy-2-phenylethyl)morpholine-4-sulfonamide
CID 43502480
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 103605338
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111314931
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 55511967

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide (CID 94018205) is N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide is COc1cccc([C@@H](CNS(=O)(=O)N2CCOCC2)N(C)C)c1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide?
The InChIKey is GBPDVSMGDBZEDM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-17(2)15(13-5-4-6-14(11-13)21-3)12-16-23(19,20)18-7-9-22-10-8-18/h4-6,11,15-16H,7-10,12H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide?
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide has a molecular weight of 343.45 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide is sourced from PubChem (CID 94018205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).