N-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide

C16H22N2O5S2 — CID 7126759

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(N[C@H]1CCS(=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)/t14-/m0/s1
InChIKeyVSWDJQDTXNUZAG-AWEZNQCLSA-N
MW386.50 g/mol
LogP0.78
Rot. Bonds4

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

N-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 7126759) has the molecular formula C16H22N2O5S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID7126759
Molecular FormulaC16H22N2O5S2
Molecular Weight386.50 g/mol
Exact Mass386.10
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(N[C@H]1CCS(=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)/t14-/m0/s1
InChIKeyVSWDJQDTXNUZAG-AWEZNQCLSA-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-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 7260135
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7126622
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7186323
N-(1,1-dioxothiolan-3-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2963677
3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide
CID 97202366
3-pyrrolidin-1-ylsulfonyl-N-[4-[[4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5202113
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 124785712
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7260123
[3-(azepan-1-ylsulfonyl)phenyl]-cyclopropylmethanone
CID 39442346
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[(3-piperidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111142887
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide (CID 7126759) is N-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide is O=C(N[C@H]1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is VSWDJQDTXNUZAG-AWEZNQCLSA-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)/t14-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide?
N-[(3S)-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-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 7126759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).