N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide

C16H26N2O4S — CID 110710626

IUPACN-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N(C)CC2CN(C)CCO2)cc1
InChIInChI=1S/C16H26N2O4S/c1-13(2)22-14-5-7-16(8-6-14)23(19,20)18(4)12-15-11-17(3)9-10-21-15/h5-8,13,15H,9-12H2,1-4H3
InChIKeySXWONJCSUUOSLX-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.42
Rot. Bonds6

About N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide

N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110710626) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID110710626
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N(C)CC2CN(C)CCO2)cc1
InChIInChI=1S/C16H26N2O4S/c1-13(2)22-14-5-7-16(8-6-14)23(19,20)18(4)12-15-11-17(3)9-10-21-15/h5-8,13,15H,9-12H2,1-4H3
InChIKeySXWONJCSUUOSLX-UHFFFAOYSA-N
XLogP1.42
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[methyl-[(4-methylmorpholin-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 110710615
2-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 110710630
N-methyl-4-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110753645
4-methoxy-N,2,5-trimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 110710600
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-(4-methylsulfonylphenoxy)-N-[3-(4-methylsulfonylphenoxy)propyl]propan-1-amine
CID 98358896
N,3-dimethyl-N-(oxan-2-ylmethyl)-4-propan-2-yloxybenzenesulfonamide
CID 86825288
4-cyano-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzenesulfonamide
CID 129479094
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110736321
4-cyclopentyloxy-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733234
4-bromo-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 87253100
4-bromo-N-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide
CID 87253101
N,4-dimethyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 51673993

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide (CID 110710626) is N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)N(C)CC2CN(C)CCO2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is SXWONJCSUUOSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-13(2)22-14-5-7-16(8-6-14)23(19,20)18(4)12-15-11-17(3)9-10-21-15/h5-8,13,15H,9-12H2,1-4H3.
What are the key properties of N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110710626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).