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

C12H21N3O3S — CID 106608211

IUPACN-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESCCN(CC1CCCN1)S(=O)(=O)Cc1cc(C)on1
InChIInChI=1S/C12H21N3O3S/c1-3-15(8-11-5-4-6-13-11)19(16,17)9-12-7-10(2)18-14-12/h7,11,13H,3-6,8-9H2,1-2H3
InChIKeyMZLRMUIELZQSBZ-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.89
Rot. Bonds6

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

N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (PubChem CID 106608211) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
PubChem CID106608211
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
SMILESCCN(CC1CCCN1)S(=O)(=O)Cc1cc(C)on1
InChIInChI=1S/C12H21N3O3S/c1-3-15(8-11-5-4-6-13-11)19(16,17)9-12-7-10(2)18-14-12/h7,11,13H,3-6,8-9H2,1-2H3
InChIKeyMZLRMUIELZQSBZ-UHFFFAOYSA-N
XLogP0.89
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607330
N-ethyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 106608119
1-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607994
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide
CID 63297663
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541452
2-chloro-N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608100
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106608788
N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 106630345
N-(5-methyl-1,2-oxazol-3-yl)-2-piperidin-2-ylethanesulfonamide
CID 54973736
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-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630272

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide (CID 106608211) is N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is CCN(CC1CCCN1)S(=O)(=O)Cc1cc(C)on1.
What is the InChIKey of N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
The InChIKey is MZLRMUIELZQSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-15(8-11-5-4-6-13-11)19(16,17)9-12-7-10(2)18-14-12/h7,11,13H,3-6,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide?
N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 106608211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).