3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide

C11H24N2OS — CID 62228669

IUPAC3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide
SMILESCCN(CCCCCO)CC(C)C(N)=S
InChIInChI=1S/C11H24N2OS/c1-3-13(7-5-4-6-8-14)9-10(2)11(12)15/h10,14H,3-9H2,1-2H3,(H2,12,15)
InChIKeyGZSJKTUKUSNLRU-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.39
Rot. Bonds9

About 3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide

3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide (PubChem CID 62228669) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide
PubChem CID62228669
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide
SMILESCCN(CCCCCO)CC(C)C(N)=S
InChIInChI=1S/C11H24N2OS/c1-3-13(7-5-4-6-8-14)9-10(2)11(12)15/h10,14H,3-9H2,1-2H3,(H2,12,15)
InChIKeyGZSJKTUKUSNLRU-UHFFFAOYSA-N
XLogP1.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.39
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

3-[butyl(ethyl)amino]-2-methylpropanethioamide
CID 43367696
4-[ethyl(2-methylpropyl)amino]butan-1-ol
CID 43509665
3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide
CID 106452806
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
3-[ethyl-[2-(3-methoxypropoxy)ethyl]amino]-2-methylpropanethioamide
CID 103179736
2-[6-hydroxyhexyl(methyl)amino]propanethioamide
CID 107703801
3-[ethyl(2-phenylsulfanylethyl)amino]-2-methylpropanethioamide
CID 79222046
6-[ethyl(prop-2-enyl)amino]hexan-1-ol
CID 19031037
3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 102993668
3-[ethyl(hexadecyl)amino]propan-1-ol
CID 138077517
11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
CID 102118011
8-[butyl(8-hydroxyoctyl)amino]octan-1-ol
CID 139645633

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide?
The IUPAC name of 3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide (CID 62228669) is 3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide?
The canonical SMILES for 3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide is CCN(CCCCCO)CC(C)C(N)=S.
What is the InChIKey of 3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide?
The InChIKey is GZSJKTUKUSNLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-3-13(7-5-4-6-8-14)9-10(2)11(12)15/h10,14H,3-9H2,1-2H3,(H2,12,15).
What are the key properties of 3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide?
3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide has a molecular weight of 232.39 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(5-hydroxypentyl)amino]-2-methylpropanethioamide is sourced from PubChem (CID 62228669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).