5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine

C11H25NO2S — CID 115820781

IUPAC5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine
SMILESCCC(CC)C(CCCS(C)(=O)=O)NC
InChIInChI=1S/C11H25NO2S/c1-5-10(6-2)11(12-3)8-7-9-15(4,13)14/h10-12H,5-9H2,1-4H3
InChIKeyFFQOJQTXMTYGBR-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds8

About 5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine

5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine (PubChem CID 115820781) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine
PubChem CID115820781
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine
SMILESCCC(CC)C(CCCS(C)(=O)=O)NC
InChIInChI=1S/C11H25NO2S/c1-5-10(6-2)11(12-3)8-7-9-15(4,13)14/h10-12H,5-9H2,1-4H3
InChIKeyFFQOJQTXMTYGBR-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-(2-tert-butylsulfonylethyl)-1-cyclobutylethanamine
CID 97070215
N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
CID 121538265
(s)-5-Methyl-1-(methylsulfonyl)hexan-3-amine
CID 129846824
1,1,1-trifluoro-N-methyl-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine
CID 103311774
1,1,1-trifluoro-6-methylsulfonyl-N-propyl-2-(trifluoromethyl)hexan-3-amine
CID 103311775
N-ethyl-1,1,1-trifluoro-6-methylsulfonyl-2-(trifluoromethyl)hexan-3-amine
CID 103311776
6-ethylsulfonyl-1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hexan-3-amine
CID 103311992
6,6,6-trifluoro-N,2-dimethyl-2-methylsulfonylhexan-3-amine
CID 104992780
3-(1,1-dioxothian-3-yl)-3-fluoro-N-methylpropan-1-amine
CID 105480914
3-(1,1-dioxothian-3-yl)-2-fluoro-N-methylpropan-1-amine
CID 105480922
1-(4,4-difluorocyclohexyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 113682128
N-[(3,3-difluorocyclohexyl)methyl]-1-methylsulfonylpropan-2-amine
CID 114223840

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine?
The IUPAC name of 5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine (CID 115820781) is 5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine.
What is the SMILES notation for 5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine?
The canonical SMILES for 5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine is CCC(CC)C(CCCS(C)(=O)=O)NC.
What is the InChIKey of 5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine?
The InChIKey is FFQOJQTXMTYGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-10(6-2)11(12-3)8-7-9-15(4,13)14/h10-12H,5-9H2,1-4H3.
What are the key properties of 5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine?
5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-1-methylsulfonylheptan-4-amine is sourced from PubChem (CID 115820781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).