4-(3,5-dimethylcyclohexyl)sulfonyl-N-methylmorpholine-2-carboxamide

C14H26N2O4S — CID 136573570

IUPAC4-(3,5-dimethylcyclohexyl)sulfonyl-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(S(=O)(=O)C2CC(C)CC(C)C2)CCO1
InChIInChI=1S/C14H26N2O4S/c1-10-6-11(2)8-12(7-10)21(18,19)16-4-5-20-13(9-16)14(17)15-3/h10-13H,4-9H2,1-3H3,(H,15,17)
InChIKeyXIUFCOYJLRHKHC-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.59
Rot. Bonds3

About 4-(3,5-dimethylcyclohexyl)sulfonyl-N-methylmorpholine-2-carboxamide

4-(3,5-dimethylcyclohexyl)sulfonyl-N-methylmorpholine-2-carboxamide (PubChem CID 136573570) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)sulfonyl-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)sulfonyl-N-methylmorpholine-2-carboxamide
PubChem CID136573570
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name4-(3,5-dimethylcyclohexyl)sulfonyl-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(S(=O)(=O)C2CC(C)CC(C)C2)CCO1
InChIInChI=1S/C14H26N2O4S/c1-10-6-11(2)8-12(7-10)21(18,19)16-4-5-20-13(9-16)14(17)15-3/h10-13H,4-9H2,1-3H3,(H,15,17)
InChIKeyXIUFCOYJLRHKHC-UHFFFAOYSA-N
XLogP0.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohexyl)sulfonyl-N-methylmorpholine-2-carboxamide?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)sulfonyl-N-methylmorpholine-2-carboxamide (CID 136573570) is 4-(3,5-dimethylcyclohexyl)sulfonyl-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)sulfonyl-N-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)sulfonyl-N-methylmorpholine-2-carboxamide is CNC(=O)C1CN(S(=O)(=O)C2CC(C)CC(C)C2)CCO1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)sulfonyl-N-methylmorpholine-2-carboxamide?
The InChIKey is XIUFCOYJLRHKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-10-6-11(2)8-12(7-10)21(18,19)16-4-5-20-13(9-16)14(17)15-3/h10-13H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 4-(3,5-dimethylcyclohexyl)sulfonyl-N-methylmorpholine-2-carboxamide?
4-(3,5-dimethylcyclohexyl)sulfonyl-N-methylmorpholine-2-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohexyl)sulfonyl-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 136573570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).