8-ethyl-6-methyl-4-[(3S)-5-methylhex-5-en-3-yl]sulfonyldecan-2-amine

C20H41NO2S — CID 174253152

IUPAC8-ethyl-6-methyl-4-[(3S)-5-methylhex-5-en-3-yl]sulfonyldecan-2-amine
SMILESC=C(C)C[C@H](CC)S(=O)(=O)C(CC(C)N)CC(C)CC(CC)CC
InChIInChI=1S/C20H41NO2S/c1-8-18(9-2)12-16(6)13-20(14-17(7)21)24(22,23)19(10-3)11-15(4)5/h16-20H,4,8-14,21H2,1-3,5-7H3/t16?,17?,19-,20?/m0/s1
InChIKeyGXCIUDQROBAVIA-JLYZFGFVSA-N
MW359.62 g/mol
LogP5.10
Rot. Bonds13

About 8-ethyl-6-methyl-4-[(3S)-5-methylhex-5-en-3-yl]sulfonyldecan-2-amine

8-ethyl-6-methyl-4-[(3S)-5-methylhex-5-en-3-yl]sulfonyldecan-2-amine (PubChem CID 174253152) has the molecular formula C20H41NO2S and a molecular weight of 359.62 g/mol. Its IUPAC name is 8-ethyl-6-methyl-4-[(3S)-5-methylhex-5-en-3-yl]sulfonyldecan-2-amine.

Molecular Properties

Compound Name8-ethyl-6-methyl-4-[(3S)-5-methylhex-5-en-3-yl]sulfonyldecan-2-amine
PubChem CID174253152
Molecular FormulaC20H41NO2S
Molecular Weight359.62 g/mol
Exact Mass359.29
IUPAC Name8-ethyl-6-methyl-4-[(3S)-5-methylhex-5-en-3-yl]sulfonyldecan-2-amine
SMILESC=C(C)C[C@H](CC)S(=O)(=O)C(CC(C)N)CC(C)CC(CC)CC
InChIInChI=1S/C20H41NO2S/c1-8-18(9-2)12-16(6)13-20(14-17(7)21)24(22,23)19(10-3)11-15(4)5/h16-20H,4,8-14,21H2,1-3,5-7H3/t16?,17?,19-,20?/m0/s1
InChIKeyGXCIUDQROBAVIA-JLYZFGFVSA-N
XLogP5.10
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.62
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-methyl-4-[(3S)-5-methylhex-5-en-3-yl]sulfonyldecan-2-amine?
The IUPAC name of 8-ethyl-6-methyl-4-[(3S)-5-methylhex-5-en-3-yl]sulfonyldecan-2-amine (CID 174253152) is 8-ethyl-6-methyl-4-[(3S)-5-methylhex-5-en-3-yl]sulfonyldecan-2-amine.
What is the SMILES notation for 8-ethyl-6-methyl-4-[(3S)-5-methylhex-5-en-3-yl]sulfonyldecan-2-amine?
The canonical SMILES for 8-ethyl-6-methyl-4-[(3S)-5-methylhex-5-en-3-yl]sulfonyldecan-2-amine is C=C(C)C[C@H](CC)S(=O)(=O)C(CC(C)N)CC(C)CC(CC)CC.
What is the InChIKey of 8-ethyl-6-methyl-4-[(3S)-5-methylhex-5-en-3-yl]sulfonyldecan-2-amine?
The InChIKey is GXCIUDQROBAVIA-JLYZFGFVSA-N. The full InChI is InChI=1S/C20H41NO2S/c1-8-18(9-2)12-16(6)13-20(14-17(7)21)24(22,23)19(10-3)11-15(4)5/h16-20H,4,8-14,21H2,1-3,5-7H3/t16?,17?,19-,20?/m0/s1.
What are the key properties of 8-ethyl-6-methyl-4-[(3S)-5-methylhex-5-en-3-yl]sulfonyldecan-2-amine?
8-ethyl-6-methyl-4-[(3S)-5-methylhex-5-en-3-yl]sulfonyldecan-2-amine has a molecular weight of 359.62 g/mol, XLogP of 5.10, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-methyl-4-[(3S)-5-methylhex-5-en-3-yl]sulfonyldecan-2-amine is sourced from PubChem (CID 174253152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).