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

C15H25N3O3S — CID 163346351

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
SMILESCc1noc(C)c1CN1CCCC(N(C)S(=O)(=O)C2CC2)C1
InChIInChI=1S/C15H25N3O3S/c1-11-15(12(2)21-16-11)10-18-8-4-5-13(9-18)17(3)22(19,20)14-6-7-14/h13-14H,4-10H2,1-3H3
InChIKeyAEGCKLIVNQYQDB-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.68
Rot. Bonds5

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

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide (PubChem CID 163346351) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
PubChem CID163346351
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
SMILESCc1noc(C)c1CN1CCCC(N(C)S(=O)(=O)C2CC2)C1
InChIInChI=1S/C15H25N3O3S/c1-11-15(12(2)21-16-11)10-18-8-4-5-13(9-18)17(3)22(19,20)14-6-7-14/h13-14H,4-10H2,1-3H3
InChIKeyAEGCKLIVNQYQDB-UHFFFAOYSA-N
XLogP1.68
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide (CID 163346351) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide is Cc1noc(C)c1CN1CCCC(N(C)S(=O)(=O)C2CC2)C1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide?
The InChIKey is AEGCKLIVNQYQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-11-15(12(2)21-16-11)10-18-8-4-5-13(9-18)17(3)22(19,20)14-6-7-14/h13-14H,4-10H2,1-3H3.
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide has a molecular weight of 327.45 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 163346351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).