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

C15H22N2O4S — CID 95298515

IUPACN-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1
InChIInChI=1S/C15H22N2O4S/c1-11-12(5-8-21-11)15(18)16-13-9-22(19,20)10-14(13)17-6-3-2-4-7-17/h5,8,13-14H,2-4,6-7,9-10H2,1H3,(H,16,18)/t13-,14-/m0/s1
InChIKeyOVQIUQUJEINQDG-KBPBESRZSA-N
MW326.42 g/mol
LogP0.97
Rot. Bonds3

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

N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide (PubChem CID 95298515) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide
PubChem CID95298515
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1
InChIInChI=1S/C15H22N2O4S/c1-11-12(5-8-21-11)15(18)16-13-9-22(19,20)10-14(13)17-6-3-2-4-7-17/h5,8,13-14H,2-4,6-7,9-10H2,1H3,(H,16,18)/t13-,14-/m0/s1
InChIKeyOVQIUQUJEINQDG-KBPBESRZSA-N
XLogP0.97
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4S)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide
CID 95327047
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide
CID 97017849
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide
CID 52872099
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-ethylfuran-2-carboxamide
CID 95302844
N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 56521315
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide
CID 104927715
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-3,4-difluorobenzamide
CID 95285548
N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclooctanecarboxamide
CID 97216677
3-cyano-N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]benzamide
CID 95290887
N-(2-tert-butylcyclohexyl)-2-methylfuran-3-carboxamide
CID 17060539
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-3-methylbut-2-enamide
CID 95333224
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]cyclopropanecarboxamide
CID 95284678

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide (CID 95298515) is N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1.
What is the InChIKey of N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide?
The InChIKey is OVQIUQUJEINQDG-KBPBESRZSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11-12(5-8-21-11)15(18)16-13-9-22(19,20)10-14(13)17-6-3-2-4-7-17/h5,8,13-14H,2-4,6-7,9-10H2,1H3,(H,16,18)/t13-,14-/m0/s1.
What are the key properties of N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide?
N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 95298515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).