N-(1,1-dioxothiolan-3-yl)-3-piperidin-1-ylsulfonylbenzamide

C16H22N2O5S2 — CID 2952920

IUPACN-(1,1-dioxothiolan-3-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H22N2O5S2/c19-16(17-14-7-10-24(20,21)12-14)13-5-4-6-15(11-13)25(22,23)18-8-2-1-3-9-18/h4-6,11,14H,1-3,7-10,12H2,(H,17,19)
InChIKeyVSWDJQDTXNUZAG-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.78
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-3-piperidin-1-ylsulfonylbenzamide

N-(1,1-dioxothiolan-3-yl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2952920) has the molecular formula C16H22N2O5S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2952920
Molecular FormulaC16H22N2O5S2
Molecular Weight386.50 g/mol
Exact Mass386.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H22N2O5S2/c19-16(17-14-7-10-24(20,21)12-14)13-5-4-6-15(11-13)25(22,23)18-8-2-1-3-9-18/h4-6,11,14H,1-3,7-10,12H2,(H,17,19)
InChIKeyVSWDJQDTXNUZAG-UHFFFAOYSA-N
XLogP0.78
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076675
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CID 24983123
N-benzyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076673
4-Sulfonamide-[4-(Thiomethylaminobutane)]Benzamide
CID 1759
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CID 24980274
N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 2122704
N-cyclopropyl-3-(morpholin-4-ylsulfonyl)benzamide
CID 2326520
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
4-(Thiomorpholin-4-ylsulfonyl)benzamide
CID 6463499
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(dimethylsulfamoyl)benzamide
CID 16392850
2-Methylsulfanyl-N-{2-[4-(piperidine-1-sulfonyl)-phenyl]-ethyl}-benzamide
CID 1072632

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-piperidin-1-ylsulfonylbenzamide (CID 2952920) is N-(1,1-dioxothiolan-3-yl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-piperidin-1-ylsulfonylbenzamide is O=C(NC1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is VSWDJQDTXNUZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S2/c19-16(17-14-7-10-24(20,21)12-14)13-5-4-6-15(11-13)25(22,23)18-8-2-1-3-9-18/h4-6,11,14H,1-3,7-10,12H2,(H,17,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-piperidin-1-ylsulfonylbenzamide?
N-(1,1-dioxothiolan-3-yl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 386.50 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2952920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).