N-(thiolan-3-yl)furan-2-carboxamide

C9H11NO2S — CID 103708637

IUPACN-(thiolan-3-yl)furan-2-carboxamide
SMILESO=C(NC1CCSC1)c1ccco1
InChIInChI=1S/C9H11NO2S/c11-9(8-2-1-4-12-8)10-7-3-5-13-6-7/h1-2,4,7H,3,5-6H2,(H,10,11)
InChIKeyBISHUSDLVJCBRR-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.51
Rot. Bonds2

About N-(thiolan-3-yl)furan-2-carboxamide

N-(thiolan-3-yl)furan-2-carboxamide (PubChem CID 103708637) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(thiolan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(thiolan-3-yl)furan-2-carboxamide
PubChem CID103708637
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC NameN-(thiolan-3-yl)furan-2-carboxamide
SMILESO=C(NC1CCSC1)c1ccco1
InChIInChI=1S/C9H11NO2S/c11-9(8-2-1-4-12-8)10-7-3-5-13-6-7/h1-2,4,7H,3,5-6H2,(H,10,11)
InChIKeyBISHUSDLVJCBRR-UHFFFAOYSA-N
XLogP1.51
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctylfuran-2-carboxamide
CID 790432
N-(4-bromocyclohexyl)furan-2-carboxamide
CID 114309141
N-(3-aminocyclobutyl)furan-2-carboxamide
CID 43594882
N-(1,1-dioxothietan-3-yl)furan-2-carboxamide
CID 130935311
N-(3,5-dimethylcyclohexyl)furan-2-carboxamide
CID 64722741
N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)furan-2-carboxamide
CID 115267746
N-[4-(2-hydroxyethyl)cyclohexyl]furan-2-carboxamide
CID 115270358
N-(4-methylcycloheptyl)furan-2-carboxamide
CID 102795196
4-(bromomethyl)-N-(thiolan-3-yl)benzamide
CID 103062722
2,3-dihydroxy-N-(thiolan-3-yl)benzamide
CID 103063299
N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 27126578
N-(1-ethylazetidin-3-yl)furan-2-carboxamide
CID 130639837

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-yl)furan-2-carboxamide?
The IUPAC name of N-(thiolan-3-yl)furan-2-carboxamide (CID 103708637) is N-(thiolan-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(thiolan-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(thiolan-3-yl)furan-2-carboxamide is O=C(NC1CCSC1)c1ccco1.
What is the InChIKey of N-(thiolan-3-yl)furan-2-carboxamide?
The InChIKey is BISHUSDLVJCBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c11-9(8-2-1-4-12-8)10-7-3-5-13-6-7/h1-2,4,7H,3,5-6H2,(H,10,11).
What are the key properties of N-(thiolan-3-yl)furan-2-carboxamide?
N-(thiolan-3-yl)furan-2-carboxamide has a molecular weight of 197.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 103708637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).