5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide

C11H24N2OS — CID 79381978

IUPAC5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide
SMILESCCN(CCCCC(N)=S)CC(C)(C)O
InChIInChI=1S/C11H24N2OS/c1-4-13(9-11(2,3)14)8-6-5-7-10(12)15/h14H,4-9H2,1-3H3,(H2,12,15)
InChIKeyAFBFQUOOGKXGBY-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.54
Rot. Bonds8

About 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide

5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide (PubChem CID 79381978) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide.

Molecular Properties

Compound Name5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide
PubChem CID79381978
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide
SMILESCCN(CCCCC(N)=S)CC(C)(C)O
InChIInChI=1S/C11H24N2OS/c1-4-13(9-11(2,3)14)8-6-5-7-10(12)15/h14H,4-9H2,1-3H3,(H2,12,15)
InChIKeyAFBFQUOOGKXGBY-UHFFFAOYSA-N
XLogP1.54
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide
CID 79380688
1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol
CID 79390324
1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol
CID 105343823
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol
CID 79047122
1-[2-aminoethyl(ethyl)amino]-2-methylpropan-2-ol
CID 79006123
6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one
CID 106801517
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanimidamide
CID 79387749
1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol
CID 111462033
4-[ethyl(2-methoxyethyl)amino]butanethioamide
CID 61448533
1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol
CID 90370489
2-[(4-amino-4-sulfanylidenebutyl)-ethylamino]-N-methylacetamide
CID 61450914
1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol
CID 78962338

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide?
The IUPAC name of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide (CID 79381978) is 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide.
What is the SMILES notation for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide?
The canonical SMILES for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide is CCN(CCCCC(N)=S)CC(C)(C)O.
What is the InChIKey of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide?
The InChIKey is AFBFQUOOGKXGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-4-13(9-11(2,3)14)8-6-5-7-10(12)15/h14H,4-9H2,1-3H3,(H2,12,15).
What are the key properties of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide?
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide has a molecular weight of 232.39 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide is sourced from PubChem (CID 79381978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).