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

C13H29NO3S — CID 116727096

IUPAC2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
SMILESCCCNC(CCCS(C)(=O)=O)C(C)(C)OCC
InChIInChI=1S/C13H29NO3S/c1-6-10-14-12(13(3,4)17-7-2)9-8-11-18(5,15)16/h12,14H,6-11H2,1-5H3
InChIKeyFJZKBUQZEMBSEV-UHFFFAOYSA-N
MW279.45 g/mol
LogP1.99
Rot. Bonds10

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

2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine (PubChem CID 116727096) has the molecular formula C13H29NO3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
PubChem CID116727096
Molecular FormulaC13H29NO3S
Molecular Weight279.45 g/mol
Exact Mass279.19
IUPAC Name2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
SMILESCCCNC(CCCS(C)(=O)=O)C(C)(C)OCC
InChIInChI=1S/C13H29NO3S/c1-6-10-14-12(13(3,4)17-7-2)9-8-11-18(5,15)16/h12,14H,6-11H2,1-5H3
InChIKeyFJZKBUQZEMBSEV-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine
CID 79197227
2-ethoxy-2-methyl-N-propylpentan-3-amine
CID 116727014
2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine
CID 79045743
2-methyl-6-methylsulfonyl-2-phenyl-N-propylhexan-3-amine
CID 63192548
(2-ethoxy-6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine
CID 105273996
(5-ethoxy-5-ethyl-1-methylsulfonylheptan-4-yl)hydrazine
CID 105275021
4-methoxy-4-methyl-1-methylsulfonyl-N-propylhexan-3-amine
CID 116758182
5-methoxy-6-methyl-1-methylsulfonyl-N-propylheptan-4-amine
CID 116720556
3,3-dimethyl-1-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine
CID 64611891
1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine
CID 114984289
8-ethylsulfonyl-2,2-dimethyl-N-propyloctan-3-amine
CID 65097308
2-ethoxy-2-methyl-N-propylhept-5-yn-3-amine
CID 116727243

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine?
The IUPAC name of 2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine (CID 116727096) is 2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine?
The canonical SMILES for 2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine is CCCNC(CCCS(C)(=O)=O)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine?
The InChIKey is FJZKBUQZEMBSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3S/c1-6-10-14-12(13(3,4)17-7-2)9-8-11-18(5,15)16/h12,14H,6-11H2,1-5H3.
What are the key properties of 2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine?
2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine has a molecular weight of 279.45 g/mol, XLogP of 1.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-6-methylsulfonyl-N-propylhexan-3-amine is sourced from PubChem (CID 116727096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).