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

C13H22N4O4S — CID 47862367

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methanesulfonamido)piperidine-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C13H22N4O4S/c1-9-12(10(2)21-15-9)8-14-13(18)17-6-4-11(5-7-17)16-22(3,19)20/h11,16H,4-8H2,1-3H3,(H,14,18)
InChIKeyUJMCXTAREJPAEV-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.51
Rot. Bonds4

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methanesulfonamido)piperidine-1-carboxamide (PubChem CID 47862367) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methanesulfonamido)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methanesulfonamido)piperidine-1-carboxamide
PubChem CID47862367
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methanesulfonamido)piperidine-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C13H22N4O4S/c1-9-12(10(2)21-15-9)8-14-13(18)17-6-4-11(5-7-17)16-22(3,19)20/h11,16H,4-8H2,1-3H3,(H,14,18)
InChIKeyUJMCXTAREJPAEV-UHFFFAOYSA-N
XLogP0.51
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methanesulfonamido)piperidine-1-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methanesulfonamido)piperidine-1-carboxamide (CID 47862367) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methanesulfonamido)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methanesulfonamido)piperidine-1-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methanesulfonamido)piperidine-1-carboxamide is Cc1noc(C)c1CNC(=O)N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methanesulfonamido)piperidine-1-carboxamide?
The InChIKey is UJMCXTAREJPAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-9-12(10(2)21-15-9)8-14-13(18)17-6-4-11(5-7-17)16-22(3,19)20/h11,16H,4-8H2,1-3H3,(H,14,18).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methanesulfonamido)piperidine-1-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methanesulfonamido)piperidine-1-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methanesulfonamido)piperidine-1-carboxamide is sourced from PubChem (CID 47862367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).