4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine

C11H25NO3S — CID 116760804

IUPAC4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine
SMILESCCC(CC)(OC)C(CCS(C)(=O)=O)NC
InChIInChI=1S/C11H25NO3S/c1-6-11(7-2,15-4)10(12-3)8-9-16(5,13)14/h10,12H,6-9H2,1-5H3
InChIKeyYHHIRIILKGOHPD-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.21
Rot. Bonds8

About 4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine

4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine (PubChem CID 116760804) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine.

Molecular Properties

Compound Name4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine
PubChem CID116760804
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine
SMILESCCC(CC)(OC)C(CCS(C)(=O)=O)NC
InChIInChI=1S/C11H25NO3S/c1-6-11(7-2,15-4)10(12-3)8-9-16(5,13)14/h10,12H,6-9H2,1-5H3
InChIKeyYHHIRIILKGOHPD-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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Related Compounds

5-ethyl-1-ethylsulfonyl-5-methoxy-N-methylheptan-4-amine
CID 116760878
5-methoxy-N,5-dimethyl-1-methylsulfonylheptan-4-amine
CID 116757678
3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine
CID 103036101
4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine
CID 116758182
3-methyl-1-methylsulfonylbutane
CID 20712453
3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 116760948
N-ethyl-4,4-dimethyl-1-methylsulfonylpentan-3-amine
CID 62599846
N-methyl-1-methylsulfonylheptan-3-amine
CID 79405764
(5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine
CID 105275021
3-ethyl-3-methoxy-N-methyl-1-phenylpentan-2-amine
CID 116760798
3-N-ethyl-2-N,2-N,2-trimethyl-5-methylsulfonylpentane-2,3-diamine
CID 79053017
N,3,3-trimethyl-1-(2-methylsulfonylethylsulfonyl)butan-2-amine
CID 64645611

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine?
The IUPAC name of 4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine (CID 116760804) is 4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine.
What is the SMILES notation for 4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine?
The canonical SMILES for 4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine is CCC(CC)(OC)C(CCS(C)(=O)=O)NC.
What is the InChIKey of 4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine?
The InChIKey is YHHIRIILKGOHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-6-11(7-2,15-4)10(12-3)8-9-16(5,13)14/h10,12H,6-9H2,1-5H3.
What are the key properties of 4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine?
4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-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 4-ethyl-4-methoxy-N-methyl-1-methylsulfonylhexan-3-amine is sourced from PubChem (CID 116760804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).