N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide

C14H25N5O3S — CID 95780172

About N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide

N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide (PubChem CID 95780172) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide
• PubChem CID: 95780172
• Molecular Formula: C14H25N5O3S
• Molecular Weight: 343.45 g/mol
• Exact Mass: 343.17
• IUPAC Name: N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide
• SMILES: CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(CCNS(C)(=O)=O)C1
• InChI: InChI=1S/C14H25N5O3S/c1-18(10-13-16-14(22-17-13)11-3-4-11)12-5-7-19(9-12)8-6-15-23(2,20)21/h11-12,15H,3-10H2,1-2H3/t12-/m1/s1
• InChIKey: BWYWMABDRNCMHX-GFCCVEGCSA-N
• XLogP: 0.00
• TPSA: 91.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.45
LogP ≤ 5	0.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide?

The IUPAC name of N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide (CID 95780172) is N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide.

What is the SMILES notation for N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide?

The canonical SMILES for N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide is CN(Cc1noc(C2CC2)n1)[C@@H]1CCN(CCNS(C)(=O)=O)C1.

What is the InChIKey of N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide?

The InChIKey is BWYWMABDRNCMHX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-18(10-13-16-14(22-17-13)11-3-4-11)12-5-7-19(9-12)8-6-15-23(2,20)21/h11-12,15H,3-10H2,1-2H3/t12-/m1/s1.

What are the key properties of N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide?

N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 0.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 95780172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).