N-[3-(furan-2-ylmethoxy)propyl]thiomorpholine-3-carboxamide

C13H20N2O3S — CID 82909429

IUPACN-[3-(furan-2-ylmethoxy)propyl]thiomorpholine-3-carboxamide
SMILESO=C(NCCCOCc1ccco1)C1CSCCN1
InChIInChI=1S/C13H20N2O3S/c16-13(12-10-19-8-5-14-12)15-4-2-6-17-9-11-3-1-7-18-11/h1,3,7,12,14H,2,4-6,8-10H2,(H,15,16)
InChIKeyXLFYAQWDXMSMRA-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.01
Rot. Bonds7

About N-[3-(furan-2-ylmethoxy)propyl]thiomorpholine-3-carboxamide

N-[3-(furan-2-ylmethoxy)propyl]thiomorpholine-3-carboxamide (PubChem CID 82909429) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]thiomorpholine-3-carboxamide
PubChem CID82909429
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]thiomorpholine-3-carboxamide
SMILESO=C(NCCCOCc1ccco1)C1CSCCN1
InChIInChI=1S/C13H20N2O3S/c16-13(12-10-19-8-5-14-12)15-4-2-6-17-9-11-3-1-7-18-11/h1,3,7,12,14H,2,4-6,8-10H2,(H,15,16)
InChIKeyXLFYAQWDXMSMRA-UHFFFAOYSA-N
XLogP1.01
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-2-ylmethoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 61364298
2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 64611617
3-amino-N-[3-(furan-2-ylmethoxy)propyl]cyclopentane-1-carboxamide
CID 66008372
4-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclohexane-1-carboxamide
CID 79519433
1-[3-(furan-2-ylmethoxy)propyl]-3-(4-hydroxycyclohexyl)urea
CID 110892535
N-[3-(furan-2-ylmethoxy)propyl]-2-piperazin-1-ylacetamide
CID 61275324
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
(3R)-1-ethyl-N-[3-(furan-2-ylmethoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 94097464
N-(2-phenylsulfanylethyl)thiomorpholine-3-carboxamide
CID 82908901
N-(3-methylsulfanylpropyl)thiomorpholine-3-carboxamide
CID 82917885
N-[2-(2-hydroxyethoxy)ethyl]thiomorpholine-3-carboxamide
CID 82908917

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]thiomorpholine-3-carboxamide (CID 82909429) is N-[3-(furan-2-ylmethoxy)propyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]thiomorpholine-3-carboxamide is O=C(NCCCOCc1ccco1)C1CSCCN1.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]thiomorpholine-3-carboxamide?
The InChIKey is XLFYAQWDXMSMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c16-13(12-10-19-8-5-14-12)15-4-2-6-17-9-11-3-1-7-18-11/h1,3,7,12,14H,2,4-6,8-10H2,(H,15,16).
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]thiomorpholine-3-carboxamide?
N-[3-(furan-2-ylmethoxy)propyl]thiomorpholine-3-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82909429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).