4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine

C12H27N3O3S — CID 94802927

IUPAC4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine
SMILESCCCCN(C)S(=O)(=O)NC[C@@H](C)N1CCOCC1
InChIInChI=1S/C12H27N3O3S/c1-4-5-6-14(3)19(16,17)13-11-12(2)15-7-9-18-10-8-15/h12-13H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyUTGYKKLRQCGTTO-GFCCVEGCSA-N
MW293.43 g/mol
LogP0.27
Rot. Bonds8

About 4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine

4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine (PubChem CID 94802927) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine
PubChem CID94802927
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC Name4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine
SMILESCCCCN(C)S(=O)(=O)NC[C@@H](C)N1CCOCC1
InChIInChI=1S/C12H27N3O3S/c1-4-5-6-14(3)19(16,17)13-11-12(2)15-7-9-18-10-8-15/h12-13H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyUTGYKKLRQCGTTO-GFCCVEGCSA-N
XLogP0.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine
CID 51079505
(2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine
CID 98718164
4-[1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylbutan-2-yl]morpholine
CID 55599014
2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63730547
N-(2-morpholin-4-ylpropyl)hexan-2-amine
CID 115708396
4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine
CID 51946495
4-[(2S)-hexan-2-yl]morpholine
CID 124506548
3-methyl-N-(2-morpholin-4-ylpropyl)pentan-2-amine
CID 115708392
3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63251281
1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane
CID 64912910
2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide
CID 55621415
methanesulfonic acid;3-morpholin-4-ylbutan-1-ol
CID 86743263

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine?
The IUPAC name of 4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine (CID 94802927) is 4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine.
What is the SMILES notation for 4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine?
The canonical SMILES for 4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine is CCCCN(C)S(=O)(=O)NC[C@@H](C)N1CCOCC1.
What is the InChIKey of 4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine?
The InChIKey is UTGYKKLRQCGTTO-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-4-5-6-14(3)19(16,17)13-11-12(2)15-7-9-18-10-8-15/h12-13H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine?
4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine has a molecular weight of 293.43 g/mol, XLogP of 0.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine is sourced from PubChem (CID 94802927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).