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

C10H17N3O3S — CID 63297663

IUPACN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide
SMILESCc1cc(CS(=O)(=O)N(C)C2CCNC2)no1
InChIInChI=1S/C10H17N3O3S/c1-8-5-9(12-16-8)7-17(14,15)13(2)10-3-4-11-6-10/h5,10-11H,3-4,6-7H2,1-2H3
InChIKeyOQGCTFCSHGSOQI-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.11
Rot. Bonds4

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

N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide (PubChem CID 63297663) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide
PubChem CID63297663
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide
SMILESCc1cc(CS(=O)(=O)N(C)C2CCNC2)no1
InChIInChI=1S/C10H17N3O3S/c1-8-5-9(12-16-8)7-17(14,15)13(2)10-3-4-11-6-10/h5,10-11H,3-4,6-7H2,1-2H3
InChIKeyOQGCTFCSHGSOQI-UHFFFAOYSA-N
XLogP0.11
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-N-[(3R)-pyrrolidin-3-yl]methanesulfonamide
CID 79685414
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607330
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 63265679
N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106608211
2-[cyclopentyl-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]amino]acetic acid
CID 60827962
1-cyclopropyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119998770
1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978998
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 119978714
N-(5-methyl-1,2-oxazol-3-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304380
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanesulfonamide
CID 61356856
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978713
1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978920

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide?
The IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide (CID 63297663) is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide?
The canonical SMILES for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide is Cc1cc(CS(=O)(=O)N(C)C2CCNC2)no1.
What is the InChIKey of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide?
The InChIKey is OQGCTFCSHGSOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-8-5-9(12-16-8)7-17(14,15)13(2)10-3-4-11-6-10/h5,10-11H,3-4,6-7H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide?
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-pyrrolidin-3-ylmethanesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.11, 4 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-3-ylmethanesulfonamide is sourced from PubChem (CID 63297663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).