N-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide

C16H21ClN2O3S — CID 16566635

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H21ClN2O3S/c17-13-4-5-15(19-7-2-1-3-8-19)14(10-13)18-16(20)12-6-9-23(21,22)11-12/h4-5,10,12H,1-3,6-9,11H2,(H,18,20)
InChIKeyVVIDDIHMPDQREJ-UHFFFAOYSA-N
MW356.88 g/mol
LogP2.70
Rot. Bonds3

About N-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide

N-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 16566635) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID16566635
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H21ClN2O3S/c17-13-4-5-15(19-7-2-1-3-8-19)14(10-13)18-16(20)12-6-9-23(21,22)11-12/h4-5,10,12H,1-3,6-9,11H2,(H,18,20)
InChIKeyVVIDDIHMPDQREJ-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 18090216
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]cyclohexanecarboxamide
CID 18082339
(3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide
CID 97076746
(3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide
CID 40952898
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]cyclobutanecarboxamide
CID 2680095
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide
CID 30971775
(3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 51534986
1-(4-chlorobenzoyl)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
CID 112794351
(2R)-N-(5-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26707711
(3R)-N-(4-bromo-2-fluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 51534988
4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide
CID 119829370
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,2-diphenylacetamide
CID 7892275

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide (CID 16566635) is N-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide is O=C(Nc1cc(Cl)ccc1N1CCCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is VVIDDIHMPDQREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c17-13-4-5-15(19-7-2-1-3-8-19)14(10-13)18-16(20)12-6-9-23(21,22)11-12/h4-5,10,12H,1-3,6-9,11H2,(H,18,20).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 356.88 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 16566635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).