3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride

C13H24ClN3O3S — CID 119993772

IUPAC3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1c(C)noc1C.Cl
InChIInChI=1S/C13H23N3O3S.ClH/c1-4-9-16(12-5-7-14-8-6-12)20(17,18)13-10(2)15-19-11(13)3;/h12,14H,4-9H2,1-3H3;1H
InChIKeyMUSUSTVUYYVCNB-UHFFFAOYSA-N
MW337.87 g/mol
LogP1.87
Rot. Bonds5

About 3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride

3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride (PubChem CID 119993772) has the molecular formula C13H24ClN3O3S and a molecular weight of 337.87 g/mol. Its IUPAC name is 3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride
PubChem CID119993772
Molecular FormulaC13H24ClN3O3S
Molecular Weight337.87 g/mol
Exact Mass337.12
IUPAC Name3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1c(C)noc1C.Cl
InChIInChI=1S/C13H23N3O3S.ClH/c1-4-9-16(12-5-7-14-8-6-12)20(17,18)13-10(2)15-19-11(13)3;/h12,14H,4-9H2,1-3H3;1H
InChIKeyMUSUSTVUYYVCNB-UHFFFAOYSA-N
XLogP1.87
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide;hydrochloride
CID 120712615
3,5-dimethyl-1-(2-methylpropyl)-N-piperidin-4-yl-N-propylpyrazole-4-sulfonamide
CID 120712616
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-N-piperidin-3-yl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 146065158
2-methyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-5-sulfonamide
CID 103951467
5-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 54923399
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300552
N-piperidin-4-yl-N-propyl-1H-pyrazole-5-sulfonamide
CID 102693555
3-ethyl-N-piperidin-4-yl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 120875600
2,3-dimethyl-6-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994131
2-methyl-6-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994087
4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride (CID 119993772) is 3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)c1c(C)noc1C.Cl.
What is the InChIKey of 3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride?
The InChIKey is MUSUSTVUYYVCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S.ClH/c1-4-9-16(12-5-7-14-8-6-12)20(17,18)13-10(2)15-19-11(13)3;/h12,14H,4-9H2,1-3H3;1H.
What are the key properties of 3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride?
3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride has a molecular weight of 337.87 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-piperidin-4-yl-N-propyl-1,2-oxazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119993772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).