N-ethyl-6-methoxy-6-methyl-2-methylsulfonylheptan-3-amine

C12H27NO3S — CID 103032225

IUPACN-ethyl-6-methoxy-6-methyl-2-methylsulfonylheptan-3-amine
SMILESCCNC(CCC(C)(C)OC)C(C)S(C)(=O)=O
InChIInChI=1S/C12H27NO3S/c1-7-13-11(10(2)17(6,14)15)8-9-12(3,4)16-5/h10-11,13H,7-9H2,1-6H3
InChIKeyOSVMGPUSYJXXBV-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.60
Rot. Bonds8

About N-ethyl-6-methoxy-6-methyl-2-methylsulfonylheptan-3-amine

N-ethyl-6-methoxy-6-methyl-2-methylsulfonylheptan-3-amine (PubChem CID 103032225) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is N-ethyl-6-methoxy-6-methyl-2-methylsulfonylheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-6-methyl-2-methylsulfonylheptan-3-amine
PubChem CID103032225
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC NameN-ethyl-6-methoxy-6-methyl-2-methylsulfonylheptan-3-amine
SMILESCCNC(CCC(C)(C)OC)C(C)S(C)(=O)=O
InChIInChI=1S/C12H27NO3S/c1-7-13-11(10(2)17(6,14)15)8-9-12(3,4)16-5/h10-11,13H,7-9H2,1-6H3
InChIKeyOSVMGPUSYJXXBV-UHFFFAOYSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-6-methoxy-6-methyl-2-methylsulfonylheptan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-6-methyl-2-methylsulfonylheptan-3-amine?
The IUPAC name of N-ethyl-6-methoxy-6-methyl-2-methylsulfonylheptan-3-amine (CID 103032225) is N-ethyl-6-methoxy-6-methyl-2-methylsulfonylheptan-3-amine.
What is the SMILES notation for N-ethyl-6-methoxy-6-methyl-2-methylsulfonylheptan-3-amine?
The canonical SMILES for N-ethyl-6-methoxy-6-methyl-2-methylsulfonylheptan-3-amine is CCNC(CCC(C)(C)OC)C(C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-6-methoxy-6-methyl-2-methylsulfonylheptan-3-amine?
The InChIKey is OSVMGPUSYJXXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-7-13-11(10(2)17(6,14)15)8-9-12(3,4)16-5/h10-11,13H,7-9H2,1-6H3.
What are the key properties of N-ethyl-6-methoxy-6-methyl-2-methylsulfonylheptan-3-amine?
N-ethyl-6-methoxy-6-methyl-2-methylsulfonylheptan-3-amine has a molecular weight of 265.42 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-6-methyl-2-methylsulfonylheptan-3-amine is sourced from PubChem (CID 103032225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).