N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide

C13H24N4O3S — CID 106423900

IUPACN-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCN(S(=O)(=O)NCc2ccno2)CC1
InChIInChI=1S/C13H24N4O3S/c1-2-6-14-10-12-4-8-17(9-5-12)21(18,19)16-11-13-3-7-15-20-13/h3,7,12,14,16H,2,4-6,8-11H2,1H3
InChIKeyXUWNRTLPECKEOX-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.72
Rot. Bonds8

About N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide

N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106423900) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
PubChem CID106423900
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCN(S(=O)(=O)NCc2ccno2)CC1
InChIInChI=1S/C13H24N4O3S/c1-2-6-14-10-12-4-8-17(9-5-12)21(18,19)16-11-13-3-7-15-20-13/h3,7,12,14,16H,2,4-6,8-11H2,1H3
InChIKeyXUWNRTLPECKEOX-UHFFFAOYSA-N
XLogP0.72
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106423891
1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-4-carboxylic acid
CID 106415171
4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106015942
N',N'-dimethyl-4-(propylaminomethyl)piperidine-1-sulfonohydrazide
CID 114141798
N-(2,2-difluoroethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409103
3-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106424009
2-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106423550
N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879144
N-(2-ethoxypropyl)-4-(propylaminomethyl)piperidine-1-sulfonamide
CID 106078679
1-(1,2-oxazol-5-ylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 114185928
N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 104600384
4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
CID 114813088

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide (CID 106423900) is N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide is CCCNCC1CCN(S(=O)(=O)NCc2ccno2)CC1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is XUWNRTLPECKEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-2-6-14-10-12-4-8-17(9-5-12)21(18,19)16-11-13-3-7-15-20-13/h3,7,12,14,16H,2,4-6,8-11H2,1H3.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide?
N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-4-(propylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106423900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).