3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide

C10H20N2O2S — CID 81203856

IUPAC3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide
SMILESCCC(CC(N)=S)N1CCOC(CO)C1
InChIInChI=1S/C10H20N2O2S/c1-2-8(5-10(11)15)12-3-4-14-9(6-12)7-13/h8-9,13H,2-7H2,1H3,(H2,11,15)
InChIKeyAUWQIRJARUIGBR-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.13
Rot. Bonds5

About 3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide

3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide (PubChem CID 81203856) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide
PubChem CID81203856
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide
SMILESCCC(CC(N)=S)N1CCOC(CO)C1
InChIInChI=1S/C10H20N2O2S/c1-2-8(5-10(11)15)12-3-4-14-9(6-12)7-13/h8-9,13H,2-7H2,1H3,(H2,11,15)
InChIKeyAUWQIRJARUIGBR-UHFFFAOYSA-N
XLogP0.13
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-pentan-3-ylmorpholine
CID 81213271
2-[2-(hydroxymethyl)morpholin-4-yl]pentan-3-one
CID 81204253
2-[2-(hydroxymethyl)morpholin-4-yl]sulfonylethanethioamide
CID 81203136
3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile
CID 114398825
[4-(2-amino-1-pyridin-4-ylbutyl)morpholin-2-yl]methanol
CID 81205938
(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one
CID 81203282
[4-[2-amino-1-(2-chlorophenyl)butyl]morpholin-2-yl]methanol
CID 81206374
[4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]morpholin-2-yl]methanol
CID 81205355
[5-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholin-2-yl]methanol
CID 114286891
N-[2-(2-ethylmorpholin-4-yl)butyl]cyclopropanamine
CID 62431717
[(2R)-4-[(1R)-1-(4-propan-2-ylphenyl)ethyl]morpholin-2-yl]methanol
CID 99108798
1-(4-pentan-3-ylmorpholin-2-yl)ethanamine
CID 115315016

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide?
The IUPAC name of 3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide (CID 81203856) is 3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide.
What is the SMILES notation for 3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide?
The canonical SMILES for 3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide is CCC(CC(N)=S)N1CCOC(CO)C1.
What is the InChIKey of 3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide?
The InChIKey is AUWQIRJARUIGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-2-8(5-10(11)15)12-3-4-14-9(6-12)7-13/h8-9,13H,2-7H2,1H3,(H2,11,15).
What are the key properties of 3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide?
3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide has a molecular weight of 232.35 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)morpholin-4-yl]pentanethioamide is sourced from PubChem (CID 81203856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).