4-(3-hydroxypropyl)morpholine-2-carbothioamide

C8H16N2O2S — CID 79681555

IUPAC4-(3-hydroxypropyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(CCCO)CCO1
InChIInChI=1S/C8H16N2O2S/c9-8(13)7-6-10(2-1-4-11)3-5-12-7/h7,11H,1-6H2,(H2,9,13)
InChIKeyUYCXJDANQMFTOK-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.64
Rot. Bonds4

About 4-(3-hydroxypropyl)morpholine-2-carbothioamide

4-(3-hydroxypropyl)morpholine-2-carbothioamide (PubChem CID 79681555) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(3-hydroxypropyl)morpholine-2-carbothioamide
PubChem CID79681555
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name4-(3-hydroxypropyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(CCCO)CCO1
InChIInChI=1S/C8H16N2O2S/c9-8(13)7-6-10(2-1-4-11)3-5-12-7/h7,11H,1-6H2,(H2,9,13)
InChIKeyUYCXJDANQMFTOK-UHFFFAOYSA-N
XLogP-0.64
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.64
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

4-(4-methylpentyl)morpholine-2-carbothioamide
CID 83156168
4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide
CID 79681028
4-nonylmorpholine-2-carbothioamide
CID 79681304
4-(3-ethylsulfonylpropyl)morpholine-2-carbothioamide
CID 79681296
2-(2-carbamothioylmorpholin-4-yl)acetamide
CID 79680931
4-(4-phenylbutyl)morpholine-2-carbothioamide
CID 114333646
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide
CID 79681740
4-(2-tert-butylsulfonylethyl)morpholine-2-carbothioamide
CID 106724887
4-[(1-methyltriazol-4-yl)methyl]morpholine-2-carbothioamide
CID 107042983
N'-hydroxy-4-(4-methylpentyl)morpholine-2-carboximidamide
CID 83158543
4-[(4-iodophenyl)methyl]morpholine-2-carbothioamide
CID 79680838
4-[(2,6-dichlorophenyl)methyl]morpholine-2-carbothioamide
CID 79681122

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(3-hydroxypropyl)morpholine-2-carbothioamide (CID 79681555) is 4-(3-hydroxypropyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(3-hydroxypropyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(3-hydroxypropyl)morpholine-2-carbothioamide is NC(=S)C1CN(CCCO)CCO1.
What is the InChIKey of 4-(3-hydroxypropyl)morpholine-2-carbothioamide?
The InChIKey is UYCXJDANQMFTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c9-8(13)7-6-10(2-1-4-11)3-5-12-7/h7,11H,1-6H2,(H2,9,13).
What are the key properties of 4-(3-hydroxypropyl)morpholine-2-carbothioamide?
4-(3-hydroxypropyl)morpholine-2-carbothioamide has a molecular weight of 204.29 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)morpholine-2-carbothioamide is sourced from PubChem (CID 79681555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).