N-(1,1-dioxothietan-3-yl)furan-2-carboxamide

C8H9NO4S — CID 130935311

IUPACN-(1,1-dioxothietan-3-yl)furan-2-carboxamide
SMILESO=C(NC1CS(=O)(=O)C1)c1ccco1
InChIInChI=1S/C8H9NO4S/c10-8(7-2-1-3-13-7)9-6-4-14(11,12)5-6/h1-3,6H,4-5H2,(H,9,10)
InChIKeyNVNUEXICPNENHX-UHFFFAOYSA-N
MW215.23 g/mol
LogP-0.19
Rot. Bonds2

About N-(1,1-dioxothietan-3-yl)furan-2-carboxamide

N-(1,1-dioxothietan-3-yl)furan-2-carboxamide (PubChem CID 130935311) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is N-(1,1-dioxothietan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothietan-3-yl)furan-2-carboxamide
PubChem CID130935311
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC NameN-(1,1-dioxothietan-3-yl)furan-2-carboxamide
SMILESO=C(NC1CS(=O)(=O)C1)c1ccco1
InChIInChI=1S/C8H9NO4S/c10-8(7-2-1-3-13-7)9-6-4-14(11,12)5-6/h1-3,6H,4-5H2,(H,9,10)
InChIKeyNVNUEXICPNENHX-UHFFFAOYSA-N
XLogP-0.19
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctylfuran-2-carboxamide
CID 790432
N-(3-aminocyclobutyl)furan-2-carboxamide
CID 43594882
N-(3,5-dimethylcyclohexyl)furan-2-carboxamide
CID 64722741
N-(4-bromocyclohexyl)furan-2-carboxamide
CID 114309141
N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 51981184
N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide
CID 115267746
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide
CID 95327047
N-(thiolan-3-yl)furan-2-carboxamide
CID 103708637
N-(1-ethylazetidin-3-yl)furan-2-carboxamide
CID 130639837
N-[4-(2-hydroxyethyl)cyclohexyl]furan-2-carboxamide
CID 115270358
N-(4-methylcycloheptyl)furan-2-carboxamide
CID 102795196
N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
CID 115563926

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothietan-3-yl)furan-2-carboxamide?
The IUPAC name of N-(1,1-dioxothietan-3-yl)furan-2-carboxamide (CID 130935311) is N-(1,1-dioxothietan-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothietan-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothietan-3-yl)furan-2-carboxamide is O=C(NC1CS(=O)(=O)C1)c1ccco1.
What is the InChIKey of N-(1,1-dioxothietan-3-yl)furan-2-carboxamide?
The InChIKey is NVNUEXICPNENHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c10-8(7-2-1-3-13-7)9-6-4-14(11,12)5-6/h1-3,6H,4-5H2,(H,9,10).
What are the key properties of N-(1,1-dioxothietan-3-yl)furan-2-carboxamide?
N-(1,1-dioxothietan-3-yl)furan-2-carboxamide has a molecular weight of 215.23 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothietan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 130935311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).