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

C13H22N4O4S — CID 75461079

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C13H22N4O4S/c1-9-12(10(2)21-15-9)8-16(3)13(18)11-4-6-17(7-5-11)22(14,19)20/h11H,4-8H2,1-3H3,(H2,14,19,20)
InChIKeyBULSIKUGYDWMHI-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.17
Rot. Bonds4

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide (PubChem CID 75461079) 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]-N-methyl-1-sulfamoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide
PubChem CID75461079
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)C1CCN(S(N)(=O)=O)CC1
InChIInChI=1S/C13H22N4O4S/c1-9-12(10(2)21-15-9)8-16(3)13(18)11-4-6-17(7-5-11)22(14,19)20/h11H,4-8H2,1-3H3,(H2,14,19,20)
InChIKeyBULSIKUGYDWMHI-UHFFFAOYSA-N
XLogP0.17
TPSA109.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.17
H-Bond Donors ≤ 51
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]-N-methyl-1-sulfamoylpiperidine-4-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide (CID 75461079) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide is Cc1noc(C)c1CN(C)C(=O)C1CCN(S(N)(=O)=O)CC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide?
The InChIKey is BULSIKUGYDWMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-9-12(10(2)21-15-9)8-16(3)13(18)11-4-6-17(7-5-11)22(14,19)20/h11H,4-8H2,1-3H3,(H2,14,19,20).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-sulfamoylpiperidine-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 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]-N-methyl-1-sulfamoylpiperidine-4-carboxamide is sourced from PubChem (CID 75461079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).