N-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide

C12H19N3O3S — CID 172891381

IUPACN-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2cocn2)CC1)C1CC1
InChIInChI=1S/C12H19N3O3S/c16-19(17,12-1-2-12)14-10-3-5-15(6-4-10)7-11-8-18-9-13-11/h8-10,12,14H,1-7H2
InChIKeyDSZHIHAWGOVOLV-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.72
Rot. Bonds5

About N-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide

N-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide (PubChem CID 172891381) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
PubChem CID172891381
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2cocn2)CC1)C1CC1
InChIInChI=1S/C12H19N3O3S/c16-19(17,12-1-2-12)14-10-3-5-15(6-4-10)7-11-8-18-9-13-11/h8-10,12,14H,1-7H2
InChIKeyDSZHIHAWGOVOLV-UHFFFAOYSA-N
XLogP0.72
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 154580808
N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 163344051
N-methyl-N-[[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methyl]cyclopropanesulfonamide
CID 171324311
N-cyclopropyl-1-(1,3-oxazol-4-ylmethyl)piperidine-4-carboxamide
CID 172890946
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 154583218
N-methyl-1-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 120838868
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 146074496
N-[1-(cyclopentylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 154575693
4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
CID 171700812
N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 155800148
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
N-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 146074487

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide?
The IUPAC name of N-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide (CID 172891381) is N-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide is O=S(=O)(NC1CCN(Cc2cocn2)CC1)C1CC1.
What is the InChIKey of N-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide?
The InChIKey is DSZHIHAWGOVOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c16-19(17,12-1-2-12)14-10-3-5-15(6-4-10)7-11-8-18-9-13-11/h8-10,12,14H,1-7H2.
What are the key properties of N-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide?
N-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-oxazol-4-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide is sourced from PubChem (CID 172891381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).