1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide

C10H18N2O4S — CID 60666013

IUPAC1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CS(=O)(=O)CC2O)CC1
InChIInChI=1S/C10H18N2O4S/c11-10(14)7-1-3-12(4-2-7)8-5-17(15,16)6-9(8)13/h7-9,13H,1-6H2,(H2,11,14)
InChIKeyGBTLEHNKSVTTDU-UHFFFAOYSA-N
MW262.33 g/mol
LogP-1.66
Rot. Bonds2

About 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide

1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide (PubChem CID 60666013) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
PubChem CID60666013
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CS(=O)(=O)CC2O)CC1
InChIInChI=1S/C10H18N2O4S/c11-10(14)7-1-3-12(4-2-7)8-5-17(15,16)6-9(8)13/h7-9,13H,1-6H2,(H2,11,14)
InChIKeyGBTLEHNKSVTTDU-UHFFFAOYSA-N
XLogP-1.66
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-4-(aziridin-1-yl)-1,1-dioxothiolan-3-ol
CID 6357828
1-[(1R,2R)-2-hydroxycyclopentyl]piperidine-4-carboxamide
CID 102734306
1-[(3S,4R)-4-(benzenesulfonyl)-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide
CID 20897767
4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol
CID 60968587
(3S,4R)-4-morpholin-4-yl-1,1-dioxothiolan-3-ol
CID 6983471
1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol
CID 63170950
1-[(3S,4R)-1,1-dioxo-4-thiophen-2-ylsulfonylthiolan-3-yl]piperidine-4-carboxamide
CID 20897697
4-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]piperazine-1-carbaldehyde
CID 99976976
1,1-dioxo-4-(3-propan-2-ylpyrrolidin-1-yl)thiolan-3-ol
CID 115688453
1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide
CID 55108616
1-(1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxamide
CID 117008143
1-[(3S,4R)-4-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,1-dioxothiolan-3-yl]piperidine-4-carboxamide
CID 39775556

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide (CID 60666013) is 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide is NC(=O)C1CCN(C2CS(=O)(=O)CC2O)CC1.
What is the InChIKey of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide?
The InChIKey is GBTLEHNKSVTTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c11-10(14)7-1-3-12(4-2-7)8-5-17(15,16)6-9(8)13/h7-9,13H,1-6H2,(H2,11,14).
What are the key properties of 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide?
1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide has a molecular weight of 262.33 g/mol, XLogP of -1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 60666013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).