4-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]morpholine

C13H27N3O3S — CID 35304112

IUPAC4-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]morpholine
SMILESCN(C)S(=O)(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C13H27N3O3S/c1-15(2)20(17,18)14-12-13(6-4-3-5-7-13)16-8-10-19-11-9-16/h14H,3-12H2,1-2H3
InChIKeyUBWXZDGFHDUIIE-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.42
Rot. Bonds5

About 4-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]morpholine

4-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]morpholine (PubChem CID 35304112) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 4-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]morpholine.

Molecular Properties

Compound Name4-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]morpholine
PubChem CID35304112
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name4-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]morpholine
SMILESCN(C)S(=O)(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C13H27N3O3S/c1-15(2)20(17,18)14-12-13(6-4-3-5-7-13)16-8-10-19-11-9-16/h14H,3-12H2,1-2H3
InChIKeyUBWXZDGFHDUIIE-UHFFFAOYSA-N
XLogP0.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]morpholine?
The IUPAC name of 4-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]morpholine (CID 35304112) is 4-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]morpholine.
What is the SMILES notation for 4-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]morpholine?
The canonical SMILES for 4-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]morpholine is CN(C)S(=O)(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 4-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]morpholine?
The InChIKey is UBWXZDGFHDUIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-15(2)20(17,18)14-12-13(6-4-3-5-7-13)16-8-10-19-11-9-16/h14H,3-12H2,1-2H3.
What are the key properties of 4-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]morpholine?
4-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]morpholine has a molecular weight of 305.44 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(dimethylsulfamoylamino)methyl]cyclohexyl]morpholine is sourced from PubChem (CID 35304112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).