N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide

C14H20N2O4S — CID 95327047

IUPACN-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide
SMILESO=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1)c1ccco1
InChIInChI=1S/C14H20N2O4S/c17-14(13-5-4-8-20-13)15-11-9-21(18,19)10-12(11)16-6-2-1-3-7-16/h4-5,8,11-12H,1-3,6-7,9-10H2,(H,15,17)/t11-,12-/m1/s1
InChIKeyDXGKAFQVLBSPIB-VXGBXAGGSA-N
MW312.39 g/mol
LogP0.66
Rot. Bonds3

About N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide

N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide (PubChem CID 95327047) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide
PubChem CID95327047
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide
SMILESO=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1)c1ccco1
InChIInChI=1S/C14H20N2O4S/c17-14(13-5-4-8-20-13)15-11-9-21(18,19)10-12(11)16-6-2-1-3-7-16/h4-5,8,11-12H,1-3,6-7,9-10H2,(H,15,17)/t11-,12-/m1/s1
InChIKeyDXGKAFQVLBSPIB-VXGBXAGGSA-N
XLogP0.66
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]furan-2-carboxamide
CID 94121408
N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide
CID 95298515
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide
CID 95302844
N-(1,1-dioxothietan-3-yl)furan-2-carboxamide
CID 130935311
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide
CID 97017849
N-[(3R,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-6-methylpyridine-2-carboxamide
CID 95288837
3-cyano-N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]benzamide
CID 95290887
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide
CID 95285548
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-2-naphthalen-2-ylacetamide
CID 97018062
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclopropanecarboxamide
CID 95284678
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide
CID 52872099
N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 27126578

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide?
The IUPAC name of N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide (CID 95327047) is N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide is O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1)c1ccco1.
What is the InChIKey of N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide?
The InChIKey is DXGKAFQVLBSPIB-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H20N2O4S/c17-14(13-5-4-8-20-13)15-11-9-21(18,19)10-12(11)16-6-2-1-3-7-16/h4-5,8,11-12H,1-3,6-7,9-10H2,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide?
N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide is sourced from PubChem (CID 95327047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).