N-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide

C14H27N5O3S — CID 71872694

IUPACN-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCC(C)c1nc(CN(C)C2CCN(CCNS(C)(=O)=O)C2)no1
InChIInChI=1S/C14H27N5O3S/c1-11(2)14-16-13(17-22-14)10-18(3)12-5-7-19(9-12)8-6-15-23(4,20)21/h11-12,15H,5-10H2,1-4H3
InChIKeyQEDWIIHBGYYXMF-UHFFFAOYSA-N
MW345.47 g/mol
LogP0.25
Rot. Bonds8

About N-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide

N-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide (PubChem CID 71872694) has the molecular formula C14H27N5O3S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide
PubChem CID71872694
Molecular FormulaC14H27N5O3S
Molecular Weight345.47 g/mol
Exact Mass345.18
IUPAC NameN-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide
SMILESCC(C)c1nc(CN(C)C2CCN(CCNS(C)(=O)=O)C2)no1
InChIInChI=1S/C14H27N5O3S/c1-11(2)14-16-13(17-22-14)10-18(3)12-5-7-19(9-12)8-6-15-23(4,20)21/h11-12,15H,5-10H2,1-4H3
InChIKeyQEDWIIHBGYYXMF-UHFFFAOYSA-N
XLogP0.25
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide (CID 71872694) is N-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide is CC(C)c1nc(CN(C)C2CCN(CCNS(C)(=O)=O)C2)no1.
What is the InChIKey of N-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is QEDWIIHBGYYXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O3S/c1-11(2)14-16-13(17-22-14)10-18(3)12-5-7-19(9-12)8-6-15-23(4,20)21/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide?
N-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 345.47 g/mol, XLogP of 0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 71872694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).