1-[(3S,4R)-4-(benzenesulfonyl)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide

C16H22N2O5S2 — CID 20897767

IUPAC1-[(3S,4R)-4-(benzenesulfonyl)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H22N2O5S2/c17-16(19)12-6-8-18(9-7-12)14-10-24(20,21)11-15(14)25(22,23)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2,(H2,17,19)/t14-,15-/m0/s1
InChIKeyYTKZRSZLFVFNSB-GJZGRUSLSA-N
MW386.50 g/mol
LogP-0.18
Rot. Bonds4

About 1-[(3S,4R)-4-(benzenesulfonyl)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide

1-[(3S,4R)-4-(benzenesulfonyl)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide (PubChem CID 20897767) has the molecular formula C16H22N2O5S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[(3S,4R)-4-(benzenesulfonyl)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3S,4R)-4-(benzenesulfonyl)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide
PubChem CID20897767
Molecular FormulaC16H22N2O5S2
Molecular Weight386.50 g/mol
Exact Mass386.10
IUPAC Name1-[(3S,4R)-4-(benzenesulfonyl)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C16H22N2O5S2/c17-16(19)12-6-8-18(9-7-12)14-10-24(20,21)11-15(14)25(22,23)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2,(H2,17,19)/t14-,15-/m0/s1
InChIKeyYTKZRSZLFVFNSB-GJZGRUSLSA-N
XLogP-0.18
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-4-(benzenesulfonyl)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3S,4R)-4-(benzenesulfonyl)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide (CID 20897767) is 1-[(3S,4R)-4-(benzenesulfonyl)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3S,4R)-4-(benzenesulfonyl)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3S,4R)-4-(benzenesulfonyl)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN([C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[(3S,4R)-4-(benzenesulfonyl)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide?
The InChIKey is YTKZRSZLFVFNSB-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H22N2O5S2/c17-16(19)12-6-8-18(9-7-12)14-10-24(20,21)11-15(14)25(22,23)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2,(H2,17,19)/t14-,15-/m0/s1.
What are the key properties of 1-[(3S,4R)-4-(benzenesulfonyl)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide?
1-[(3S,4R)-4-(benzenesulfonyl)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-4-(benzenesulfonyl)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 20897767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).