N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide

C11H19N3O3S2 — CID 106382408

IUPACN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)CCC2CCCCN2)cs1
InChIInChI=1S/C11H19N3O3S2/c15-11-14-10(8-18-11)7-13-19(16,17)6-4-9-3-1-2-5-12-9/h8-9,12-13H,1-7H2,(H,14,15)
InChIKeyOQCKGSSZOWWESH-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.39
Rot. Bonds6

About N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide (PubChem CID 106382408) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide
PubChem CID106382408
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide
SMILESO=c1[nH]c(CNS(=O)(=O)CCC2CCCCN2)cs1
InChIInChI=1S/C11H19N3O3S2/c15-11-14-10(8-18-11)7-13-19(16,17)6-4-9-3-1-2-5-12-9/h8-9,12-13H,1-7H2,(H,14,15)
InChIKeyOQCKGSSZOWWESH-UHFFFAOYSA-N
XLogP0.39
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62846320
N-(1,2-oxazol-3-ylmethyl)-2-piperidin-2-ylethanesulfonamide
CID 81178466
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 55038343
N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62532081
N-(cyclohexylmethyl)-2-piperidin-2-ylethanesulfonamide
CID 60863668
N-[2-(methanesulfonamido)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 60863842
2-piperidin-2-yl-N-thiophen-3-ylethanesulfonamide
CID 66353750
N-[2-(ethylsulfamoyl)ethyl]-2-piperidin-2-ylethanesulfonamide
CID 106339620
N-(2-piperidin-2-ylethyl)propane-1-sulfonamide
CID 24703797
N-(2-methoxyethyl)-2-piperidin-2-ylethanesulfonamide
CID 60865631
2-piperidin-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]ethanesulfonamide
CID 64531405
2-piperidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)ethanesulfonamide
CID 106293105

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide?
The IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide (CID 106382408) is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide is O=c1[nH]c(CNS(=O)(=O)CCC2CCCCN2)cs1.
What is the InChIKey of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide?
The InChIKey is OQCKGSSZOWWESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c15-11-14-10(8-18-11)7-13-19(16,17)6-4-9-3-1-2-5-12-9/h8-9,12-13H,1-7H2,(H,14,15).
What are the key properties of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide?
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide has a molecular weight of 305.43 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-2-ylethanesulfonamide is sourced from PubChem (CID 106382408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).