2-ethoxy-6-methylsulfonyl-N-propylhexan-3-amine

C12H27NO3S — CID 64533207

IUPAC2-ethoxy-6-methylsulfonyl-N-propylhexan-3-amine
SMILESCCCNC(CCCS(C)(=O)=O)C(C)OCC
InChIInChI=1S/C12H27NO3S/c1-5-9-13-12(11(3)16-6-2)8-7-10-17(4,14)15/h11-13H,5-10H2,1-4H3
InChIKeyBBEJKIULRYXDCG-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.60
Rot. Bonds10

About 2-ethoxy-6-methylsulfonyl-N-propylhexan-3-amine

2-ethoxy-6-methylsulfonyl-N-propylhexan-3-amine (PubChem CID 64533207) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-ethoxy-6-methylsulfonyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name2-ethoxy-6-methylsulfonyl-N-propylhexan-3-amine
PubChem CID64533207
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name2-ethoxy-6-methylsulfonyl-N-propylhexan-3-amine
SMILESCCCNC(CCCS(C)(=O)=O)C(C)OCC
InChIInChI=1S/C12H27NO3S/c1-5-9-13-12(11(3)16-6-2)8-7-10-17(4,14)15/h11-13H,5-10H2,1-4H3
InChIKeyBBEJKIULRYXDCG-UHFFFAOYSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
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 2-ethoxy-6-methylsulfonyl-N-propylhexan-3-amine?
The IUPAC name of 2-ethoxy-6-methylsulfonyl-N-propylhexan-3-amine (CID 64533207) is 2-ethoxy-6-methylsulfonyl-N-propylhexan-3-amine.
What is the SMILES notation for 2-ethoxy-6-methylsulfonyl-N-propylhexan-3-amine?
The canonical SMILES for 2-ethoxy-6-methylsulfonyl-N-propylhexan-3-amine is CCCNC(CCCS(C)(=O)=O)C(C)OCC.
What is the InChIKey of 2-ethoxy-6-methylsulfonyl-N-propylhexan-3-amine?
The InChIKey is BBEJKIULRYXDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-5-9-13-12(11(3)16-6-2)8-7-10-17(4,14)15/h11-13H,5-10H2,1-4H3.
What are the key properties of 2-ethoxy-6-methylsulfonyl-N-propylhexan-3-amine?
2-ethoxy-6-methylsulfonyl-N-propylhexan-3-amine has a molecular weight of 265.42 g/mol, XLogP of 1.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-methylsulfonyl-N-propylhexan-3-amine is sourced from PubChem (CID 64533207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).