[4-[2-[tert-butyl(dimethylsulfamoyl)amino]ethyl]morpholin-3-yl]methanol

C13H29N3O4S — CID 59831566

IUPAC[4-[2-[tert-butyl(dimethylsulfamoyl)amino]ethyl]morpholin-3-yl]methanol
SMILESCN(C)S(=O)(=O)N(CCN1CCOCC1CO)C(C)(C)C
InChIInChI=1S/C13H29N3O4S/c1-13(2,3)16(21(18,19)14(4)5)7-6-15-8-9-20-11-12(15)10-17/h12,17H,6-11H2,1-5H3
InChIKeyUUVIOZBWNBPHEP-UHFFFAOYSA-N
MW323.46 g/mol
LogP-0.41
Rot. Bonds6

About [4-[2-[tert-butyl(dimethylsulfamoyl)amino]ethyl]morpholin-3-yl]methanol

[4-[2-[tert-butyl(dimethylsulfamoyl)amino]ethyl]morpholin-3-yl]methanol (PubChem CID 59831566) has the molecular formula C13H29N3O4S and a molecular weight of 323.46 g/mol. Its IUPAC name is [4-[2-[tert-butyl(dimethylsulfamoyl)amino]ethyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-[2-[tert-butyl(dimethylsulfamoyl)amino]ethyl]morpholin-3-yl]methanol
PubChem CID59831566
Molecular FormulaC13H29N3O4S
Molecular Weight323.46 g/mol
Exact Mass323.19
IUPAC Name[4-[2-[tert-butyl(dimethylsulfamoyl)amino]ethyl]morpholin-3-yl]methanol
SMILESCN(C)S(=O)(=O)N(CCN1CCOCC1CO)C(C)(C)C
InChIInChI=1S/C13H29N3O4S/c1-13(2,3)16(21(18,19)14(4)5)7-6-15-8-9-20-11-12(15)10-17/h12,17H,6-11H2,1-5H3
InChIKeyUUVIOZBWNBPHEP-UHFFFAOYSA-N
XLogP-0.41
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[tert-butyl(dimethylsulfamoyl)amino]ethyl]morpholin-3-yl]methanol?
The IUPAC name of [4-[2-[tert-butyl(dimethylsulfamoyl)amino]ethyl]morpholin-3-yl]methanol (CID 59831566) is [4-[2-[tert-butyl(dimethylsulfamoyl)amino]ethyl]morpholin-3-yl]methanol.
What is the SMILES notation for [4-[2-[tert-butyl(dimethylsulfamoyl)amino]ethyl]morpholin-3-yl]methanol?
The canonical SMILES for [4-[2-[tert-butyl(dimethylsulfamoyl)amino]ethyl]morpholin-3-yl]methanol is CN(C)S(=O)(=O)N(CCN1CCOCC1CO)C(C)(C)C.
What is the InChIKey of [4-[2-[tert-butyl(dimethylsulfamoyl)amino]ethyl]morpholin-3-yl]methanol?
The InChIKey is UUVIOZBWNBPHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O4S/c1-13(2,3)16(21(18,19)14(4)5)7-6-15-8-9-20-11-12(15)10-17/h12,17H,6-11H2,1-5H3.
What are the key properties of [4-[2-[tert-butyl(dimethylsulfamoyl)amino]ethyl]morpholin-3-yl]methanol?
[4-[2-[tert-butyl(dimethylsulfamoyl)amino]ethyl]morpholin-3-yl]methanol has a molecular weight of 323.46 g/mol, XLogP of -0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[tert-butyl(dimethylsulfamoyl)amino]ethyl]morpholin-3-yl]methanol is sourced from PubChem (CID 59831566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).