(2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine

C14H31N3O3S — CID 98718164

IUPAC(2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine
SMILESCCCCN(C)S(=O)(=O)NC[C@H](C)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C14H31N3O3S/c1-6-7-8-16(5)21(18,19)15-9-12(2)17-10-13(3)20-14(4)11-17/h12-15H,6-11H2,1-5H3/t12-,13+,14+/m0/s1
InChIKeyXRJRWXPWCOXLIQ-BFHYXJOUSA-N
MW321.49 g/mol
LogP1.05
Rot. Bonds8

About (2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine

(2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine (PubChem CID 98718164) has the molecular formula C14H31N3O3S and a molecular weight of 321.49 g/mol. Its IUPAC name is (2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine
PubChem CID98718164
Molecular FormulaC14H31N3O3S
Molecular Weight321.49 g/mol
Exact Mass321.21
IUPAC Name(2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine
SMILESCCCCN(C)S(=O)(=O)NC[C@H](C)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C14H31N3O3S/c1-6-7-8-16(5)21(18,19)15-9-12(2)17-10-13(3)20-14(4)11-17/h12-15H,6-11H2,1-5H3/t12-,13+,14+/m0/s1
InChIKeyXRJRWXPWCOXLIQ-BFHYXJOUSA-N
XLogP1.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine with MolForge

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Related Compounds

4-[1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine
CID 51079505
4-[(2R)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]morpholine
CID 94802927
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethylpropan-1-amine
CID 104960968
2-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63730547
3-amino-1-[[butyl(methyl)sulfamoyl]amino]butane
CID 63251281
1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxybutane
CID 64912910
1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]urea
CID 124736359
N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-nitrobenzenesulfonamide
CID 34115064
2,6-dimethyl-N-(2-morpholin-4-ylpropyl)morpholine-4-sulfonamide
CID 55621415
N-[3-[[butyl(methyl)sulfamoyl]amino]propyl]methanesulfonamide
CID 51078399
4-(2,6-dimethylmorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62439790
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propan-1-amine
CID 51670774

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine (CID 98718164) is (2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine is CCCCN(C)S(=O)(=O)NC[C@H](C)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of (2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine?
The InChIKey is XRJRWXPWCOXLIQ-BFHYXJOUSA-N. The full InChI is InChI=1S/C14H31N3O3S/c1-6-7-8-16(5)21(18,19)15-9-12(2)17-10-13(3)20-14(4)11-17/h12-15H,6-11H2,1-5H3/t12-,13+,14+/m0/s1.
What are the key properties of (2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine?
(2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine has a molecular weight of 321.49 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[(2S)-1-[[butyl(methyl)sulfamoyl]amino]propan-2-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 98718164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).