N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide

C18H30N2O4S — CID 78833549

IUPACN-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCC(O)CN2CCOCC2)c(C)c1C
InChIInChI=1S/C18H30N2O4S/c1-12-13(2)15(4)18(16(5)14(12)3)25(22,23)19-10-17(21)11-20-6-8-24-9-7-20/h17,19,21H,6-11H2,1-5H3
InChIKeyYKBZNWGLHHANLW-UHFFFAOYSA-N
MW370.52 g/mol
LogP1.20
Rot. Bonds6

About N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide

N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 78833549) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID78833549
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCC(O)CN2CCOCC2)c(C)c1C
InChIInChI=1S/C18H30N2O4S/c1-12-13(2)15(4)18(16(5)14(12)3)25(22,23)19-10-17(21)11-20-6-8-24-9-7-20/h17,19,21H,6-11H2,1-5H3
InChIKeyYKBZNWGLHHANLW-UHFFFAOYSA-N
XLogP1.20
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 78874200
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide
CID 78833551
2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide
CID 97029637
potassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate
CID 131888727
1-(methoxyamino)-3-morpholin-4-ylpropan-2-ol
CID 60702622
1-morpholin-4-yl-3-(morpholin-4-ylamino)propan-2-ol
CID 83022230
2-(4-chlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)ethenesulfonamide
CID 71900151
1-(3-methylpentan-3-ylamino)-3-morpholin-4-ylpropan-2-ol
CID 113296449
ethyl 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetate
CID 60681827
1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-morpholin-4-ylpropan-2-ol
CID 133383205
1-[(2-methylpropan-2-yl)oxyamino]-3-morpholin-4-ylpropan-2-ol
CID 82724312

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 78833549) is N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)NCC(O)CN2CCOCC2)c(C)c1C.
What is the InChIKey of N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is YKBZNWGLHHANLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-12-13(2)15(4)18(16(5)14(12)3)25(22,23)19-10-17(21)11-20-6-8-24-9-7-20/h17,19,21H,6-11H2,1-5H3.
What are the key properties of N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 78833549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).