4-(2,3-dihydro-1-benzofuran-3-ylmethyl)morpholine-2-carbothioamide

C14H18N2O2S — CID 79680757

IUPAC4-(2,3-dihydro-1-benzofuran-3-ylmethyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(CC2COc3ccccc32)CCO1
InChIInChI=1S/C14H18N2O2S/c15-14(19)13-8-16(5-6-17-13)7-10-9-18-12-4-2-1-3-11(10)12/h1-4,10,13H,5-9H2,(H2,15,19)
InChIKeyHFFUUOWUUJMUBL-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.15
Rot. Bonds3

About 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)morpholine-2-carbothioamide

4-(2,3-dihydro-1-benzofuran-3-ylmethyl)morpholine-2-carbothioamide (PubChem CID 79680757) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-3-ylmethyl)morpholine-2-carbothioamide
PubChem CID79680757
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name4-(2,3-dihydro-1-benzofuran-3-ylmethyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(CC2COc3ccccc32)CCO1
InChIInChI=1S/C14H18N2O2S/c15-14(19)13-8-16(5-6-17-13)7-10-9-18-12-4-2-1-3-11(10)12/h1-4,10,13H,5-9H2,(H2,15,19)
InChIKeyHFFUUOWUUJMUBL-UHFFFAOYSA-N
XLogP1.15
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-3-amine
CID 79230283
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxypiperidine-4-carboximidamide
CID 79229225
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)azetidine-3-carboxylic acid
CID 79230205
4-(4-phenylbutyl)morpholine-2-carbothioamide
CID 114333646
4-[(2,6-dichlorophenyl)methyl]morpholine-2-carbothioamide
CID 79681122
2-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-4-yl]ethanamine
CID 79229389
2-[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,4-diazepan-1-yl]ethanamine
CID 79226330
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidine-3-carbaldehyde
CID 79230311
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161905
(NE)-N-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 114509498
2-(2-carbamothioylmorpholin-4-yl)acetamide
CID 79680931
4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide
CID 79681028

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)morpholine-2-carbothioamide (CID 79680757) is 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)morpholine-2-carbothioamide is NC(=S)C1CN(CC2COc3ccccc32)CCO1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)morpholine-2-carbothioamide?
The InChIKey is HFFUUOWUUJMUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c15-14(19)13-8-16(5-6-17-13)7-10-9-18-12-4-2-1-3-11(10)12/h1-4,10,13H,5-9H2,(H2,15,19).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)morpholine-2-carbothioamide?
4-(2,3-dihydro-1-benzofuran-3-ylmethyl)morpholine-2-carbothioamide has a molecular weight of 278.38 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-3-ylmethyl)morpholine-2-carbothioamide is sourced from PubChem (CID 79680757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).