2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine

C13H29N3O3S — CID 42958069

IUPAC2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine
SMILESCCN(CC)S(=O)(=O)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C13H29N3O3S/c1-5-16(6-2)20(17,18)14-9-13-11-15(7-8-19-13)10-12(3)4/h12-14H,5-11H2,1-4H3
InChIKeyFKIRWSAFQQKQKX-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.52
Rot. Bonds8

About 2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine

2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine (PubChem CID 42958069) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine
PubChem CID42958069
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC Name2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine
SMILESCCN(CC)S(=O)(=O)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C13H29N3O3S/c1-5-16(6-2)20(17,18)14-9-13-11-15(7-8-19-13)10-12(3)4/h12-14H,5-11H2,1-4H3
InChIKeyFKIRWSAFQQKQKX-UHFFFAOYSA-N
XLogP0.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-(2-Methylpropyl)morpholin-2-yl)methanamine
CID 4962206
3-(2,6-Dimethylmorpholin-4-yl)propan-1-amine
CID 10607302
2-Methyl-3-(morpholin-4-yl)propan-1-amine
CID 17609127
N-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)-N-methylsulfamate;hydrobromide
CID 16682536
2,6-dimethyl-N-(3-propan-2-yloxypropyl)morpholine-4-sulfonamide
CID 47018741
2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide
CID 51080627
(2R,6S)-2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide
CID 94179554
(2S,6S)-2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide
CID 94179555
(2R,6R)-2,6-dimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-sulfonamide
CID 94179556
2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]ethanamine
CID 104959183
2-(aminomethyl)-6-methyl-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
CID 113755172
2-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
CID 114811190

Frequently Asked Questions

What is the IUPAC name of 2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine?
The IUPAC name of 2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine (CID 42958069) is 2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine.
What is the SMILES notation for 2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine?
The canonical SMILES for 2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine is CCN(CC)S(=O)(=O)NCC1CN(CC(C)C)CCO1.
What is the InChIKey of 2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine?
The InChIKey is FKIRWSAFQQKQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-5-16(6-2)20(17,18)14-9-13-11-15(7-8-19-13)10-12(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine?
2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine has a molecular weight of 307.46 g/mol, XLogP of 0.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(diethylsulfamoylamino)methyl]-4-(2-methylpropyl)morpholine is sourced from PubChem (CID 42958069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).