4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine

C14H21N3O4S — CID 110352653

IUPAC4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine
SMILESCC1COCCN1C(=O)c1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H21N3O4S/c1-11-10-21-9-8-17(11)14(18)12-4-6-13(7-5-12)15-22(19,20)16(2)3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyOTHJEUAYPPONKR-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.77
Rot. Bonds4

About 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine

4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine (PubChem CID 110352653) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine
PubChem CID110352653
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine
SMILESCC1COCCN1C(=O)c1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H21N3O4S/c1-11-10-21-9-8-17(11)14(18)12-4-6-13(7-5-12)15-22(19,20)16(2)3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyOTHJEUAYPPONKR-UHFFFAOYSA-N
XLogP0.77
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 47174328
2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 110352678
4-[4-(dimethylsulfamoylamino)benzoyl]-3,3-dimethylmorpholine
CID 110352824
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide
CID 110604977
N,N-dimethyl-3-(3-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110354676
1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea
CID 110614358
1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110614359
1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110671803
[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 119293249
(3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 47168279
2-(4-chlorophenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110352615
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110619227

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine?
The IUPAC name of 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine (CID 110352653) is 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine.
What is the SMILES notation for 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine?
The canonical SMILES for 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine is CC1COCCN1C(=O)c1ccc(NS(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine?
The InChIKey is OTHJEUAYPPONKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-11-10-21-9-8-17(11)14(18)12-4-6-13(7-5-12)15-22(19,20)16(2)3/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine?
4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine has a molecular weight of 327.41 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine is sourced from PubChem (CID 110352653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).