N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide

C11H19N3O3S — CID 106607330

IUPACN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)N(C)CC2CCCN2)no1
InChIInChI=1S/C11H19N3O3S/c1-9-6-11(13-17-9)8-18(15,16)14(2)7-10-4-3-5-12-10/h6,10,12H,3-5,7-8H2,1-2H3
InChIKeyCDEOBUFGUGGNDB-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.50
Rot. Bonds5

About N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide

N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (PubChem CID 106607330) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
PubChem CID106607330
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)N(C)CC2CCCN2)no1
InChIInChI=1S/C11H19N3O3S/c1-9-6-11(13-17-9)8-18(15,16)14(2)7-10-4-3-5-12-10/h6,10,12H,3-5,7-8H2,1-2H3
InChIKeyCDEOBUFGUGGNDB-UHFFFAOYSA-N
XLogP0.50
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106608211
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide
CID 63297663
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 63265679
N,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607033
N-(5-methyl-1,2-oxazol-3-yl)-2-piperidin-2-ylethanesulfonamide
CID 54973736
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541452
2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid
CID 60827962
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-oxo-2-piperazin-1-ylethyl)methanesulfonamide
CID 61019091
5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626603
5-methyl-3-[(2-pyrrolidin-2-ylpyrrolidin-1-yl)sulfonylmethyl]-1,2-oxazole
CID 62274428
N-methyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630421
N-[(2-aminophenyl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43458492

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (CID 106607330) is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is Cc1cc(CS(=O)(=O)N(C)CC2CCCN2)no1.
What is the InChIKey of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The InChIKey is CDEOBUFGUGGNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-9-6-11(13-17-9)8-18(15,16)14(2)7-10-4-3-5-12-10/h6,10,12H,3-5,7-8H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 106607330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).