N-(2-amino-4-methylpentyl)-2,6-dimethylmorpholine-4-sulfonamide

C12H27N3O3S — CID 43606427

IUPACN-(2-amino-4-methylpentyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H27N3O3S/c1-9(2)5-12(13)6-14-19(16,17)15-7-10(3)18-11(4)8-15/h9-12,14H,5-8,13H2,1-4H3
InChIKeyKFJIXBGMDCEICZ-UHFFFAOYSA-N
MW293.43 g/mol
LogP0.30
Rot. Bonds6

About N-(2-amino-4-methylpentyl)-2,6-dimethylmorpholine-4-sulfonamide

N-(2-amino-4-methylpentyl)-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 43606427) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID43606427
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC NameN-(2-amino-4-methylpentyl)-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC(C)CC(N)CNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H27N3O3S/c1-9(2)5-12(13)6-14-19(16,17)15-7-10(3)18-11(4)8-15/h9-12,14H,5-8,13H2,1-4H3
InChIKeyKFJIXBGMDCEICZ-UHFFFAOYSA-N
XLogP0.30
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-(2-amino-4-methylpentyl)-2,6-dimethylmorpholine-4-sulfonamide (CID 43606427) is N-(2-amino-4-methylpentyl)-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)-2,6-dimethylmorpholine-4-sulfonamide is CC(C)CC(N)CNS(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-(2-amino-4-methylpentyl)-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is KFJIXBGMDCEICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-9(2)5-12(13)6-14-19(16,17)15-7-10(3)18-11(4)8-15/h9-12,14H,5-8,13H2,1-4H3.
What are the key properties of N-(2-amino-4-methylpentyl)-2,6-dimethylmorpholine-4-sulfonamide?
N-(2-amino-4-methylpentyl)-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 293.43 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 43606427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).