6-methoxy-N,6-dimethyl-1-methylsulfonylheptan-4-amine

C11H25NO3S — CID 103024989

IUPAC6-methoxy-N,6-dimethyl-1-methylsulfonylheptan-4-amine
SMILESCNC(CCCS(C)(=O)=O)CC(C)(C)OC
InChIInChI=1S/C11H25NO3S/c1-11(2,15-4)9-10(12-3)7-6-8-16(5,13)14/h10,12H,6-9H2,1-5H3
InChIKeyMCFGYWHOSBMEPZ-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.21
Rot. Bonds8

About 6-methoxy-N,6-dimethyl-1-methylsulfonylheptan-4-amine

6-methoxy-N,6-dimethyl-1-methylsulfonylheptan-4-amine (PubChem CID 103024989) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 6-methoxy-N,6-dimethyl-1-methylsulfonylheptan-4-amine.

Molecular Properties

Compound Name6-methoxy-N,6-dimethyl-1-methylsulfonylheptan-4-amine
PubChem CID103024989
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name6-methoxy-N,6-dimethyl-1-methylsulfonylheptan-4-amine
SMILESCNC(CCCS(C)(=O)=O)CC(C)(C)OC
InChIInChI=1S/C11H25NO3S/c1-11(2,15-4)9-10(12-3)7-6-8-16(5,13)14/h10,12H,6-9H2,1-5H3
InChIKeyMCFGYWHOSBMEPZ-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,6-dimethyl-1-methylsulfonylheptan-4-amine?
The IUPAC name of 6-methoxy-N,6-dimethyl-1-methylsulfonylheptan-4-amine (CID 103024989) is 6-methoxy-N,6-dimethyl-1-methylsulfonylheptan-4-amine.
What is the SMILES notation for 6-methoxy-N,6-dimethyl-1-methylsulfonylheptan-4-amine?
The canonical SMILES for 6-methoxy-N,6-dimethyl-1-methylsulfonylheptan-4-amine is CNC(CCCS(C)(=O)=O)CC(C)(C)OC.
What is the InChIKey of 6-methoxy-N,6-dimethyl-1-methylsulfonylheptan-4-amine?
The InChIKey is MCFGYWHOSBMEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-11(2,15-4)9-10(12-3)7-6-8-16(5,13)14/h10,12H,6-9H2,1-5H3.
What are the key properties of 6-methoxy-N,6-dimethyl-1-methylsulfonylheptan-4-amine?
6-methoxy-N,6-dimethyl-1-methylsulfonylheptan-4-amine has a molecular weight of 251.39 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,6-dimethyl-1-methylsulfonylheptan-4-amine is sourced from PubChem (CID 103024989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).