N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3-sulfonamide

C11H19N3O3S — CID 106373826

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3-sulfonamide
SMILESCc1nc(CNS(=O)(=O)C2CCCNC2)oc1C
InChIInChI=1S/C11H19N3O3S/c1-8-9(2)17-11(14-8)7-13-18(15,16)10-4-3-5-12-6-10/h10,12-13H,3-7H2,1-2H3
InChIKeySPNITKQNGMNFNZ-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.46
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3-sulfonamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3-sulfonamide (PubChem CID 106373826) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3-sulfonamide
PubChem CID106373826
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3-sulfonamide
SMILESCc1nc(CNS(=O)(=O)C2CCCNC2)oc1C
InChIInChI=1S/C11H19N3O3S/c1-8-9(2)17-11(14-8)7-13-18(15,16)10-4-3-5-12-6-10/h10,12-13H,3-7H2,1-2H3
InChIKeySPNITKQNGMNFNZ-UHFFFAOYSA-N
XLogP0.46
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-sulfonamide
CID 79242655
N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-sulfonamide
CID 62307379
N-[(5-ethylthiophen-2-yl)methyl]piperidine-3-sulfonamide
CID 106013660
N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-sulfonamide
CID 114956767
N-(furan-2-ylmethyl)piperidine-3-sulfonamide
CID 24690010
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 106373825
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-sulfonamide
CID 106049183
N-(3-methylbutyl)piperidine-3-sulfonamide
CID 24702359
N-[2-(dimethylamino)ethyl]piperidine-3-sulfonamide
CID 24699413
N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-sulfonamide
CID 62989771
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47359122
N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide
CID 65418761

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3-sulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3-sulfonamide (CID 106373826) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3-sulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3-sulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3-sulfonamide is Cc1nc(CNS(=O)(=O)C2CCCNC2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3-sulfonamide?
The InChIKey is SPNITKQNGMNFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-8-9(2)17-11(14-8)7-13-18(15,16)10-4-3-5-12-6-10/h10,12-13H,3-7H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3-sulfonamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidine-3-sulfonamide is sourced from PubChem (CID 106373826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).