3-ethyl-N-(2-ethylbutyl)-2-[methanethioyl(methyl)amino]pentanethioamide

C15H30N2S2 — CID 54573292

IUPAC3-ethyl-N-(2-ethylbutyl)-2-[methanethioyl(methyl)amino]pentanethioamide
SMILESCCC(CC)CNC(=S)C(C(CC)CC)N(C)C=S
InChIInChI=1S/C15H30N2S2/c1-6-12(7-2)10-16-15(19)14(17(5)11-18)13(8-3)9-4/h11-14H,6-10H2,1-5H3,(H,16,19)
InChIKeyKNEKTUYMYDIDBT-UHFFFAOYSA-N
MW302.55 g/mol
LogP4.03
Rot. Bonds10

About 3-ethyl-N-(2-ethylbutyl)-2-[methanethioyl(methyl)amino]pentanethioamide

3-ethyl-N-(2-ethylbutyl)-2-[methanethioyl(methyl)amino]pentanethioamide (PubChem CID 54573292) has the molecular formula C15H30N2S2 and a molecular weight of 302.55 g/mol. Its IUPAC name is 3-ethyl-N-(2-ethylbutyl)-2-[methanethioyl(methyl)amino]pentanethioamide.

Molecular Properties

Compound Name3-ethyl-N-(2-ethylbutyl)-2-[methanethioyl(methyl)amino]pentanethioamide
PubChem CID54573292
Molecular FormulaC15H30N2S2
Molecular Weight302.55 g/mol
Exact Mass302.19
IUPAC Name3-ethyl-N-(2-ethylbutyl)-2-[methanethioyl(methyl)amino]pentanethioamide
SMILESCCC(CC)CNC(=S)C(C(CC)CC)N(C)C=S
InChIInChI=1S/C15H30N2S2/c1-6-12(7-2)10-16-15(19)14(17(5)11-18)13(8-3)9-4/h11-14H,6-10H2,1-5H3,(H,16,19)
InChIKeyKNEKTUYMYDIDBT-UHFFFAOYSA-N
XLogP4.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-ethylbutyl)-2-[methanethioyl(methyl)amino]pentanethioamide?
The IUPAC name of 3-ethyl-N-(2-ethylbutyl)-2-[methanethioyl(methyl)amino]pentanethioamide (CID 54573292) is 3-ethyl-N-(2-ethylbutyl)-2-[methanethioyl(methyl)amino]pentanethioamide.
What is the SMILES notation for 3-ethyl-N-(2-ethylbutyl)-2-[methanethioyl(methyl)amino]pentanethioamide?
The canonical SMILES for 3-ethyl-N-(2-ethylbutyl)-2-[methanethioyl(methyl)amino]pentanethioamide is CCC(CC)CNC(=S)C(C(CC)CC)N(C)C=S.
What is the InChIKey of 3-ethyl-N-(2-ethylbutyl)-2-[methanethioyl(methyl)amino]pentanethioamide?
The InChIKey is KNEKTUYMYDIDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S2/c1-6-12(7-2)10-16-15(19)14(17(5)11-18)13(8-3)9-4/h11-14H,6-10H2,1-5H3,(H,16,19).
What are the key properties of 3-ethyl-N-(2-ethylbutyl)-2-[methanethioyl(methyl)amino]pentanethioamide?
3-ethyl-N-(2-ethylbutyl)-2-[methanethioyl(methyl)amino]pentanethioamide has a molecular weight of 302.55 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-ethylbutyl)-2-[methanethioyl(methyl)amino]pentanethioamide is sourced from PubChem (CID 54573292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).