N-[3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propyl]methanesulfonamide

C12H21N3O3S — CID 94200107

IUPACN-[3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCc1cc([C@H]2CCCN2CCCNS(C)(=O)=O)on1
InChIInChI=1S/C12H21N3O3S/c1-10-9-12(18-14-10)11-5-3-7-15(11)8-4-6-13-19(2,16)17/h9,11,13H,3-8H2,1-2H3/t11-/m1/s1
InChIKeyWJNFCCXGKYNPOL-LLVKDONJSA-N
MW287.38 g/mol
LogP1.06
Rot. Bonds6

About N-[3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propyl]methanesulfonamide

N-[3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propyl]methanesulfonamide (PubChem CID 94200107) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propyl]methanesulfonamide
PubChem CID94200107
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-[3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propyl]methanesulfonamide
SMILESCc1cc([C@H]2CCCN2CCCNS(C)(=O)=O)on1
InChIInChI=1S/C12H21N3O3S/c1-10-9-12(18-14-10)11-5-3-7-15(11)8-4-6-13-19(2,16)17/h9,11,13H,3-8H2,1-2H3/t11-/m1/s1
InChIKeyWJNFCCXGKYNPOL-LLVKDONJSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propyl]methanesulfonamide (CID 94200107) is N-[3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propyl]methanesulfonamide is Cc1cc([C@H]2CCCN2CCCNS(C)(=O)=O)on1.
What is the InChIKey of N-[3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propyl]methanesulfonamide?
The InChIKey is WJNFCCXGKYNPOL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-10-9-12(18-14-10)11-5-3-7-15(11)8-4-6-13-19(2,16)17/h9,11,13H,3-8H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propyl]methanesulfonamide?
N-[3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propyl]methanesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propyl]methanesulfonamide is sourced from PubChem (CID 94200107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).