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

C20H24N2O3S — CID 97017849

IUPACN-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide
SMILESO=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C20H24N2O3S/c23-20(17-10-6-8-15-7-2-3-9-16(15)17)21-18-13-26(24,25)14-19(18)22-11-4-1-5-12-22/h2-3,6-10,18-19H,1,4-5,11-14H2,(H,21,23)/t18-,19+/m1/s1
InChIKeyBLIHGTKTNSHVCK-MOPGFXCFSA-N
MW372.49 g/mol
LogP2.22
Rot. Bonds3

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

N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide (PubChem CID 97017849) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide
PubChem CID97017849
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide
SMILESO=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C20H24N2O3S/c23-20(17-10-6-8-15-7-2-3-9-16(15)17)21-18-13-26(24,25)14-19(18)22-11-4-1-5-12-22/h2-3,6-10,18-19H,1,4-5,11-14H2,(H,21,23)/t18-,19+/m1/s1
InChIKeyBLIHGTKTNSHVCK-MOPGFXCFSA-N
XLogP2.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56521199
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-piperidin-1-ylthiolan-3-yl]furan-2-carboxamide
CID 95327047
3-cyano-N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]benzamide
CID 95290887
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-(1H-indol-3-yl)butanamide
CID 52523504
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]-5-ethylfuran-2-carboxamide
CID 95302844
N-(2-aminocyclopropyl)naphthalene-1-carboxamide
CID 43593836
N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 56521315
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 95352761
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

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide (CID 97017849) is N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide is O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1)c1cccc2ccccc12.
What is the InChIKey of N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide?
The InChIKey is BLIHGTKTNSHVCK-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-20(17-10-6-8-15-7-2-3-9-16(15)17)21-18-13-26(24,25)14-19(18)22-11-4-1-5-12-22/h2-3,6-10,18-19H,1,4-5,11-14H2,(H,21,23)/t18-,19+/m1/s1.
What are the key properties of N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide?
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 97017849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).