N-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C14H24N4O4S — CID 119423221

IUPACN-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)C(=O)N1CCC(CN)CC1
InChIInChI=1S/C14H24N4O4S/c1-9-13(11(3)22-16-9)23(20,21)17-10(2)14(19)18-6-4-12(8-15)5-7-18/h10,12,17H,4-8,15H2,1-3H3
InChIKeyPWBNLEAEORRNRN-UHFFFAOYSA-N
MW344.44 g/mol
LogP0.16
Rot. Bonds5

About N-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 119423221) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID119423221
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC NameN-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)C(=O)N1CCC(CN)CC1
InChIInChI=1S/C14H24N4O4S/c1-9-13(11(3)22-16-9)23(20,21)17-10(2)14(19)18-6-4-12(8-15)5-7-18/h10,12,17H,4-8,15H2,1-3H3
InChIKeyPWBNLEAEORRNRN-UHFFFAOYSA-N
XLogP0.16
TPSA118.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[(2S)-1-[(4S)-4-methylazepan-1-yl]-1-oxopropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 95040873
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120815178
N-[(2S)-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55938383
N-[(2S)-1-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55938540
N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 33241393
3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide
CID 30085204
N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 46601458
N-[(2R)-1-aminopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 104873362
3,5-dimethyl-N-[(2S)-1-oxo-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-yl]-1,2-oxazole-4-sulfonamide
CID 37045713
N-[1-(aminomethyl)cyclopentyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 119565976
N-(2-amino-1-cyclopentylethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106737884
3,5-dimethyl-N-[(2S)-1-(3-methyl-2-phenylazetidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 102558465

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 119423221) is N-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC(C)C(=O)N1CCC(CN)CC1.
What is the InChIKey of N-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is PWBNLEAEORRNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-9-13(11(3)22-16-9)23(20,21)17-10(2)14(19)18-6-4-12(8-15)5-7-18/h10,12,17H,4-8,15H2,1-3H3.
What are the key properties of N-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 119423221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).