2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide

C14H22N2O4S — CID 114469155

IUPAC2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1OCC1CNCCO1
InChIInChI=1S/C14H22N2O4S/c1-2-7-16-21(17,18)14-6-4-3-5-13(14)20-11-12-10-15-8-9-19-12/h3-6,12,15-16H,2,7-11H2,1H3
InChIKeyOHEJLDCJWCMKRT-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.74
Rot. Bonds7

About 2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide

2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide (PubChem CID 114469155) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide
PubChem CID114469155
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1OCC1CNCCO1
InChIInChI=1S/C14H22N2O4S/c1-2-7-16-21(17,18)14-6-4-3-5-13(14)20-11-12-10-15-8-9-19-12/h3-6,12,15-16H,2,7-11H2,1H3
InChIKeyOHEJLDCJWCMKRT-UHFFFAOYSA-N
XLogP0.74
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine
CID 114468909
2-(piperidin-3-ylmethoxy)-N-propylbenzenesulfonamide
CID 62348183
bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
CID 157316678
2-[(2-ethoxyphenoxy)methyl]morpholine;methane
CID 158820908
2-(piperidin-2-ylmethoxy)-N-propylbenzenesulfonamide
CID 62349027
(2R)-2-[(2-chlorophenoxy)methyl]morpholine
CID 42048764
(2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine
CID 71752946
2-(morpholin-2-ylmethoxy)benzonitrile
CID 64534469
2-[[(2R)-morpholin-2-yl]methoxy]benzamide
CID 175701608
(2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride
CID 71752943
2-[(4-ethylsulfonylphenoxy)methyl]morpholine
CID 114469326
2-methoxy-N-propylbenzenesulfonamide
CID 23128752

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide?
The IUPAC name of 2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide (CID 114469155) is 2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide?
The canonical SMILES for 2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1OCC1CNCCO1.
What is the InChIKey of 2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide?
The InChIKey is OHEJLDCJWCMKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-2-7-16-21(17,18)14-6-4-3-5-13(14)20-11-12-10-15-8-9-19-12/h3-6,12,15-16H,2,7-11H2,1H3.
What are the key properties of 2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide?
2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide is sourced from PubChem (CID 114469155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).