N-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide

C13H30N2O3S — CID 54903343

IUPACN-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNC(C)CC(C)(C)OC)S(C)(=O)=O
InChIInChI=1S/C13H30N2O3S/c1-7-15(19(6,16)17)10-8-9-14-12(2)11-13(3,4)18-5/h12,14H,7-11H2,1-6H3
InChIKeyCOSUWUWWMLNRNB-UHFFFAOYSA-N
MW294.46 g/mol
LogP1.45
Rot. Bonds10

About N-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide

N-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide (PubChem CID 54903343) has the molecular formula C13H30N2O3S and a molecular weight of 294.46 g/mol. Its IUPAC name is N-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide
PubChem CID54903343
Molecular FormulaC13H30N2O3S
Molecular Weight294.46 g/mol
Exact Mass294.20
IUPAC NameN-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNC(C)CC(C)(C)OC)S(C)(=O)=O
InChIInChI=1S/C13H30N2O3S/c1-7-15(19(6,16)17)10-8-9-14-12(2)11-13(3,4)18-5/h12,14H,7-11H2,1-6H3
InChIKeyCOSUWUWWMLNRNB-UHFFFAOYSA-N
XLogP1.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide (CID 54903343) is N-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide is CCN(CCCNC(C)CC(C)(C)OC)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide?
The InChIKey is COSUWUWWMLNRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3S/c1-7-15(19(6,16)17)10-8-9-14-12(2)11-13(3,4)18-5/h12,14H,7-11H2,1-6H3.
What are the key properties of N-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide has a molecular weight of 294.46 g/mol, XLogP of 1.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 54903343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).