5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine

C11H25NO3S — CID 116720841

IUPAC5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine
SMILESCCOC(C(C)C)C(N)CCCS(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-5-15-11(9(2)3)10(12)7-6-8-16(4,13)14/h9-11H,5-8,12H2,1-4H3
InChIKeyRKNGDCWTFKSXCL-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.20
Rot. Bonds8

About 5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine

5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine (PubChem CID 116720841) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine.

Molecular Properties

Compound Name5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine
PubChem CID116720841
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine
SMILESCCOC(C(C)C)C(N)CCCS(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-5-15-11(9(2)3)10(12)7-6-8-16(4,13)14/h9-11H,5-8,12H2,1-4H3
InChIKeyRKNGDCWTFKSXCL-UHFFFAOYSA-N
XLogP1.20
TPSA69.39 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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethoxy-1-ethylsulfonyl-6-methylheptan-4-yl)hydrazine
CID 105272341
6-methylsulfonyl-3-propan-2-ylhexan-2-amine
CID 63191205
1,1-diethoxy-5-methylsulfonylpentan-2-ol
CID 79496142
5-methoxy-6-methyl-1-methylsulfonyl-N-propylheptan-4-amine
CID 116720556
3-ethoxy-2-methylnon-7-yn-4-amine
CID 116720742
6-ethylsulfonyl-2-methylsulfonylhexan-3-amine
CID 115865472
6-methylsulfonyl-1-propoxyhexan-3-amine
CID 105113081
1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine
CID 65136361
4-methoxy-1-methylsulfonylpentan-3-amine
CID 79617033
1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine
CID 104610727
6-ethoxy-1-methylsulfonylhexan-3-amine
CID 114984300
(1,1-difluoro-5-methylsulfonylpentan-2-yl)hydrazine
CID 105265023

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine?
The IUPAC name of 5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine (CID 116720841) is 5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine.
What is the SMILES notation for 5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine?
The canonical SMILES for 5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine is CCOC(C(C)C)C(N)CCCS(C)(=O)=O.
What is the InChIKey of 5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine?
The InChIKey is RKNGDCWTFKSXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-5-15-11(9(2)3)10(12)7-6-8-16(4,13)14/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine?
5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine has a molecular weight of 251.39 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-6-methyl-1-methylsulfonylheptan-4-amine is sourced from PubChem (CID 116720841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).