6-methoxy-N,6-dimethyl-2-methylsulfonylheptan-3-amine

C11H25NO3S — CID 103031547

IUPAC6-methoxy-N,6-dimethyl-2-methylsulfonylheptan-3-amine
SMILESCNC(CCC(C)(C)OC)C(C)S(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-9(16(6,13)14)10(12-4)7-8-11(2,3)15-5/h9-10,12H,7-8H2,1-6H3
InChIKeyLNTAJXCQJVBBIZ-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.21
Rot. Bonds7

About 6-methoxy-N,6-dimethyl-2-methylsulfonylheptan-3-amine

6-methoxy-N,6-dimethyl-2-methylsulfonylheptan-3-amine (PubChem CID 103031547) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 6-methoxy-N,6-dimethyl-2-methylsulfonylheptan-3-amine.

Molecular Properties

Compound Name6-methoxy-N,6-dimethyl-2-methylsulfonylheptan-3-amine
PubChem CID103031547
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name6-methoxy-N,6-dimethyl-2-methylsulfonylheptan-3-amine
SMILESCNC(CCC(C)(C)OC)C(C)S(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-9(16(6,13)14)10(12-4)7-8-11(2,3)15-5/h9-10,12H,7-8H2,1-6H3
InChIKeyLNTAJXCQJVBBIZ-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-2-methylsulfonylheptan-3-amine?
The IUPAC name of 6-methoxy-N,6-dimethyl-2-methylsulfonylheptan-3-amine (CID 103031547) is 6-methoxy-N,6-dimethyl-2-methylsulfonylheptan-3-amine.
What is the SMILES notation for 6-methoxy-N,6-dimethyl-2-methylsulfonylheptan-3-amine?
The canonical SMILES for 6-methoxy-N,6-dimethyl-2-methylsulfonylheptan-3-amine is CNC(CCC(C)(C)OC)C(C)S(C)(=O)=O.
What is the InChIKey of 6-methoxy-N,6-dimethyl-2-methylsulfonylheptan-3-amine?
The InChIKey is LNTAJXCQJVBBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-9(16(6,13)14)10(12-4)7-8-11(2,3)15-5/h9-10,12H,7-8H2,1-6H3.
What are the key properties of 6-methoxy-N,6-dimethyl-2-methylsulfonylheptan-3-amine?
6-methoxy-N,6-dimethyl-2-methylsulfonylheptan-3-amine has a molecular weight of 251.39 g/mol, XLogP of 1.21, 7 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-2-methylsulfonylheptan-3-amine is sourced from PubChem (CID 103031547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).