N-(furan-2-ylmethyl)morpholine-4-carbothioamide

C10H14N2O2S — CID 972927

IUPACN-(furan-2-ylmethyl)morpholine-4-carbothioamide
SMILESS=C(NCc1ccco1)N1CCOCC1
InChIInChI=1S/C10H14N2O2S/c15-10(12-3-6-13-7-4-12)11-8-9-2-1-5-14-9/h1-2,5H,3-4,6-8H2,(H,11,15)
InChIKeyQSSPKPFBRSYCFT-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.99
Rot. Bonds2

About N-(furan-2-ylmethyl)morpholine-4-carbothioamide

N-(furan-2-ylmethyl)morpholine-4-carbothioamide (PubChem CID 972927) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)morpholine-4-carbothioamide
PubChem CID972927
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-(furan-2-ylmethyl)morpholine-4-carbothioamide
SMILESS=C(NCc1ccco1)N1CCOCC1
InChIInChI=1S/C10H14N2O2S/c15-10(12-3-6-13-7-4-12)11-8-9-2-1-5-14-9/h1-2,5H,3-4,6-8H2,(H,11,15)
InChIKeyQSSPKPFBRSYCFT-UHFFFAOYSA-N
XLogP0.99
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Furoyl)piperazine
CID 550206
4-(Furan-2-carbonyl)piperazine-1-carboxamide
CID 762331
4-(((Furan-2-yl)methyl)amino)-1,2-dihydropyrimidin-2-one
CID 666825
1-Benzyl-3-furfuryl-2-thiourea
CID 4604028
3-Amino-1-((furan-2-yl)methyl)thiourea
CID 722972
N,N,N-Trimethyl-2-furanmethanaminium
CID 10938
5-(2-Furylmethyl)-1,3,5-triazinane-2-thione
CID 929663
[(Furan-2-yl)methyl]urea
CID 587724
1,3-(Difurfuryl)thiourea
CID 3034210
N-Methylfurfurylamine
CID 78492
N-(furan-2-ylmethyl)-2-(hydroxymethyl)piperidine-1-carbothioamide
CID 2958187
3,5-Bis(2-furylmethyl)-1,3,5-thiadiazinane-2-thione
CID 332185

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)morpholine-4-carbothioamide?
The IUPAC name of N-(furan-2-ylmethyl)morpholine-4-carbothioamide (CID 972927) is N-(furan-2-ylmethyl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(furan-2-ylmethyl)morpholine-4-carbothioamide?
The canonical SMILES for N-(furan-2-ylmethyl)morpholine-4-carbothioamide is S=C(NCc1ccco1)N1CCOCC1.
What is the InChIKey of N-(furan-2-ylmethyl)morpholine-4-carbothioamide?
The InChIKey is QSSPKPFBRSYCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c15-10(12-3-6-13-7-4-12)11-8-9-2-1-5-14-9/h1-2,5H,3-4,6-8H2,(H,11,15).
What are the key properties of N-(furan-2-ylmethyl)morpholine-4-carbothioamide?
N-(furan-2-ylmethyl)morpholine-4-carbothioamide has a molecular weight of 226.30 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)morpholine-4-carbothioamide is sourced from PubChem (CID 972927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).