N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide

C15H28N4O3S — CID 71872553

IUPACN-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide
SMILESCCc1cnc(CN(C)C2CCN(CCNS(=O)(=O)CC)C2)o1
InChIInChI=1S/C15H28N4O3S/c1-4-14-10-16-15(22-14)12-18(3)13-6-8-19(11-13)9-7-17-23(20,21)5-2/h10,13,17H,4-9,11-12H2,1-3H3
InChIKeyOJOIGFMYHOLRQU-UHFFFAOYSA-N
MW344.48 g/mol
LogP0.68
Rot. Bonds9

About N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide

N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide (PubChem CID 71872553) has the molecular formula C15H28N4O3S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide
PubChem CID71872553
Molecular FormulaC15H28N4O3S
Molecular Weight344.48 g/mol
Exact Mass344.19
IUPAC NameN-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide
SMILESCCc1cnc(CN(C)C2CCN(CCNS(=O)(=O)CC)C2)o1
InChIInChI=1S/C15H28N4O3S/c1-4-14-10-16-15(22-14)12-18(3)13-6-8-19(11-13)9-7-17-23(20,21)5-2/h10,13,17H,4-9,11-12H2,1-3H3
InChIKeyOJOIGFMYHOLRQU-UHFFFAOYSA-N
XLogP0.68
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide (CID 71872553) is N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide is CCc1cnc(CN(C)C2CCN(CCNS(=O)(=O)CC)C2)o1.
What is the InChIKey of N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide?
The InChIKey is OJOIGFMYHOLRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3S/c1-4-14-10-16-15(22-14)12-18(3)13-6-8-19(11-13)9-7-17-23(20,21)5-2/h10,13,17H,4-9,11-12H2,1-3H3.
What are the key properties of N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide?
N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 0.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 71872553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).