5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine

C14H31NO3S — CID 116759105

IUPAC5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine
SMILESCCNC(CCCS(=O)(=O)CC)C(C)(CC)OCC
InChIInChI=1S/C14H31NO3S/c1-6-14(5,18-8-3)13(15-7-2)11-10-12-19(16,17)9-4/h13,15H,6-12H2,1-5H3
InChIKeyYYECLVGUFPHRDI-UHFFFAOYSA-N
MW293.47 g/mol
LogP2.38
Rot. Bonds11

About 5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine

5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine (PubChem CID 116759105) has the molecular formula C14H31NO3S and a molecular weight of 293.47 g/mol. Its IUPAC name is 5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine.

Molecular Properties

Compound Name5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine
PubChem CID116759105
Molecular FormulaC14H31NO3S
Molecular Weight293.47 g/mol
Exact Mass293.20
IUPAC Name5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine
SMILESCCNC(CCCS(=O)(=O)CC)C(C)(CC)OCC
InChIInChI=1S/C14H31NO3S/c1-6-14(5,18-8-3)13(15-7-2)11-10-12-19(16,17)9-4/h13,15H,6-12H2,1-5H3
InChIKeyYYECLVGUFPHRDI-UHFFFAOYSA-N
XLogP2.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(4-Tert-butylsulfonyl-2-fluoro-2-methylbutyl)morpholine
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3-(2-Fluoro-2-methyl-4-propan-2-ylsulfonylbutyl)morpholine
CID 106735980
3-(5-Ethylsulfonyl-2-fluoro-2-methylpentyl)morpholine
CID 113462359
3-(4-Ethylsulfonyl-2-fluoro-2-methylbutyl)morpholine
CID 113871354
10-(3,3,3-Trifluoropropyl)-6-oxa-2lambda6-thia-9-azaspiro[4.5]decane-2,2-dione
CID 165747112
N-[2-(2-ethylhexoxy)ethyl]-1,1-dioxothiolan-3-amine
CID 55092912
1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methoxypropan-2-amine
CID 62318735
N-ethyl-5-ethylsulfonyl-1-methoxypentan-2-amine
CID 62318914
1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-methylpropan-2-amine
CID 62320192
1-(1,1-dioxothiolan-3-yl)-3-methoxy-N-propylpropan-2-amine
CID 62320376

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine?
The IUPAC name of 5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine (CID 116759105) is 5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine.
What is the SMILES notation for 5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine?
The canonical SMILES for 5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine is CCNC(CCCS(=O)(=O)CC)C(C)(CC)OCC.
What is the InChIKey of 5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine?
The InChIKey is YYECLVGUFPHRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3S/c1-6-14(5,18-8-3)13(15-7-2)11-10-12-19(16,17)9-4/h13,15H,6-12H2,1-5H3.
What are the key properties of 5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine?
5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine has a molecular weight of 293.47 g/mol, XLogP of 2.38, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-ethyl-1-ethylsulfonyl-5-methylheptan-4-amine is sourced from PubChem (CID 116759105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).