2-[6-hydroxyhexyl(propan-2-yl)amino]ethanethioamide

C11H24N2OS — CID 107703820

IUPAC2-[6-hydroxyhexyl(propan-2-yl)amino]ethanethioamide
SMILESCC(C)N(CCCCCCO)CC(N)=S
InChIInChI=1S/C11H24N2OS/c1-10(2)13(9-11(12)15)7-5-3-4-6-8-14/h10,14H,3-9H2,1-2H3,(H2,12,15)
InChIKeyPAJPIQUKVRGHCJ-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.54
Rot. Bonds9

About 2-[6-hydroxyhexyl(propan-2-yl)amino]ethanethioamide

2-[6-hydroxyhexyl(propan-2-yl)amino]ethanethioamide (PubChem CID 107703820) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 2-[6-hydroxyhexyl(propan-2-yl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[6-hydroxyhexyl(propan-2-yl)amino]ethanethioamide
PubChem CID107703820
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name2-[6-hydroxyhexyl(propan-2-yl)amino]ethanethioamide
SMILESCC(C)N(CCCCCCO)CC(N)=S
InChIInChI=1S/C11H24N2OS/c1-10(2)13(9-11(12)15)7-5-3-4-6-8-14/h10,14H,3-9H2,1-2H3,(H2,12,15)
InChIKeyPAJPIQUKVRGHCJ-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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

2-[2-(2-Hydroxyethyl)piperidin-1-yl]ethanethioamide
CID 24692018
4-[2-(Hydroxymethyl)piperidin-1-yl]butanethioamide
CID 61406859
2-[2-(Hydroxymethyl)piperidin-1-yl]ethanethioamide
CID 61406908
3-[2-(Hydroxymethyl)piperidin-1-yl]pentanethioamide
CID 61406910
3-[2-(Hydroxymethyl)piperidin-1-yl]butanethioamide
CID 61407101
5-[2-(Hydroxymethyl)piperidin-1-yl]pentanethioamide
CID 61522469
5-[3-Hydroxypropyl(propan-2-yl)amino]pentanethioamide
CID 61581143
2-[2-(2-Hydroxyethyl)piperidin-1-yl]propanethioamide
CID 61690606
2-[2-(Hydroxymethyl)piperidin-1-yl]propanethioamide
CID 61690620
2-[Cyclohexyl(2-hydroxyethyl)amino]propanethioamide
CID 61691055
2-[2-(2-Hydroxyethyl)piperidin-1-yl]butanethioamide
CID 61696824
2-[3-Hydroxypropyl(propan-2-yl)amino]butanethioamide
CID 61697528

Frequently Asked Questions

What is the IUPAC name of 2-[6-hydroxyhexyl(propan-2-yl)amino]ethanethioamide?
The IUPAC name of 2-[6-hydroxyhexyl(propan-2-yl)amino]ethanethioamide (CID 107703820) is 2-[6-hydroxyhexyl(propan-2-yl)amino]ethanethioamide.
What is the SMILES notation for 2-[6-hydroxyhexyl(propan-2-yl)amino]ethanethioamide?
The canonical SMILES for 2-[6-hydroxyhexyl(propan-2-yl)amino]ethanethioamide is CC(C)N(CCCCCCO)CC(N)=S.
What is the InChIKey of 2-[6-hydroxyhexyl(propan-2-yl)amino]ethanethioamide?
The InChIKey is PAJPIQUKVRGHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-10(2)13(9-11(12)15)7-5-3-4-6-8-14/h10,14H,3-9H2,1-2H3,(H2,12,15).
What are the key properties of 2-[6-hydroxyhexyl(propan-2-yl)amino]ethanethioamide?
2-[6-hydroxyhexyl(propan-2-yl)amino]ethanethioamide has a molecular weight of 232.39 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-hydroxyhexyl(propan-2-yl)amino]ethanethioamide is sourced from PubChem (CID 107703820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).