5-methoxy-5-methyl-1-methylsulfonyl-N-propylhexan-2-amine

C12H27NO3S — CID 103031962

IUPAC5-methoxy-5-methyl-1-methylsulfonyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)CS(C)(=O)=O
InChIInChI=1S/C12H27NO3S/c1-6-9-13-11(10-17(5,14)15)7-8-12(2,3)16-4/h11,13H,6-10H2,1-5H3
InChIKeyAIKFKTARWQTYKG-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.60
Rot. Bonds9

About 5-methoxy-5-methyl-1-methylsulfonyl-N-propylhexan-2-amine

5-methoxy-5-methyl-1-methylsulfonyl-N-propylhexan-2-amine (PubChem CID 103031962) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 5-methoxy-5-methyl-1-methylsulfonyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name5-methoxy-5-methyl-1-methylsulfonyl-N-propylhexan-2-amine
PubChem CID103031962
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name5-methoxy-5-methyl-1-methylsulfonyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)CS(C)(=O)=O
InChIInChI=1S/C12H27NO3S/c1-6-9-13-11(10-17(5,14)15)7-8-12(2,3)16-4/h11,13H,6-10H2,1-5H3
InChIKeyAIKFKTARWQTYKG-UHFFFAOYSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-1-methylsulfonyl-N-propylhexan-2-amine?
The IUPAC name of 5-methoxy-5-methyl-1-methylsulfonyl-N-propylhexan-2-amine (CID 103031962) is 5-methoxy-5-methyl-1-methylsulfonyl-N-propylhexan-2-amine.
What is the SMILES notation for 5-methoxy-5-methyl-1-methylsulfonyl-N-propylhexan-2-amine?
The canonical SMILES for 5-methoxy-5-methyl-1-methylsulfonyl-N-propylhexan-2-amine is CCCNC(CCC(C)(C)OC)CS(C)(=O)=O.
What is the InChIKey of 5-methoxy-5-methyl-1-methylsulfonyl-N-propylhexan-2-amine?
The InChIKey is AIKFKTARWQTYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-6-9-13-11(10-17(5,14)15)7-8-12(2,3)16-4/h11,13H,6-10H2,1-5H3.
What are the key properties of 5-methoxy-5-methyl-1-methylsulfonyl-N-propylhexan-2-amine?
5-methoxy-5-methyl-1-methylsulfonyl-N-propylhexan-2-amine has a molecular weight of 265.42 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-1-methylsulfonyl-N-propylhexan-2-amine is sourced from PubChem (CID 103031962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).