N,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide

C16H27N3O3S — CID 146104423

IUPACN,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide
SMILESCc1ccc(N2CCOCC2)cc1NC(C)CS(=O)(=O)N(C)C
InChIInChI=1S/C16H27N3O3S/c1-13-5-6-15(19-7-9-22-10-8-19)11-16(13)17-14(2)12-23(20,21)18(3)4/h5-6,11,14,17H,7-10,12H2,1-4H3
InChIKeyMOEWRJZWGSIQBG-UHFFFAOYSA-N
MW341.48 g/mol
LogP1.52
Rot. Bonds6

About N,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide

N,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide (PubChem CID 146104423) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide
PubChem CID146104423
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC NameN,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide
SMILESCc1ccc(N2CCOCC2)cc1NC(C)CS(=O)(=O)N(C)C
InChIInChI=1S/C16H27N3O3S/c1-13-5-6-15(19-7-9-22-10-8-19)11-16(13)17-14(2)12-23(20,21)18(3)4/h5-6,11,14,17H,7-10,12H2,1-4H3
InChIKeyMOEWRJZWGSIQBG-UHFFFAOYSA-N
XLogP1.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362516
N,N-dimethyl-2-[3-(4-methylpiperidin-1-yl)anilino]propane-1-sulfonamide
CID 146144918
N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110400433
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110400494
N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine
CID 163917311
ethyl (2S)-2-(2-methyl-4-morpholin-4-ylanilino)propanoate
CID 141056523
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one
CID 94114537
N-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide
CID 168652539
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-methylpropanamide
CID 110362575
2,5-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 48629418
N-(2-fluoropropyl)-N-methyl-4-morpholin-4-ylbenzenesulfonamide
CID 46939268

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide (CID 146104423) is N,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide is Cc1ccc(N2CCOCC2)cc1NC(C)CS(=O)(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide?
The InChIKey is MOEWRJZWGSIQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-13-5-6-15(19-7-9-22-10-8-19)11-16(13)17-14(2)12-23(20,21)18(3)4/h5-6,11,14,17H,7-10,12H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide?
N,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide has a molecular weight of 341.48 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methyl-5-morpholin-4-ylanilino)propane-1-sulfonamide is sourced from PubChem (CID 146104423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).