N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide

C13H22N4O4S — CID 70708816

IUPACN-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)C2CCCN2S(C)(=O)=O)no1
InChIInChI=1S/C13H22N4O4S/c1-9(2)12-14-11(15-21-12)8-16(3)13(18)10-6-5-7-17(10)22(4,19)20/h9-10H,5-8H2,1-4H3
InChIKeyBGRQBSLDFPFAIT-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.58
Rot. Bonds5

About N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide

N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 70708816) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID70708816
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC NameN-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1nc(CN(C)C(=O)C2CCCN2S(C)(=O)=O)no1
InChIInChI=1S/C13H22N4O4S/c1-9(2)12-14-11(15-21-12)8-16(3)13(18)10-6-5-7-17(10)22(4,19)20/h9-10H,5-8H2,1-4H3
InChIKeyBGRQBSLDFPFAIT-UHFFFAOYSA-N
XLogP0.58
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide (CID 70708816) is N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide is CC(C)c1nc(CN(C)C(=O)C2CCCN2S(C)(=O)=O)no1.
What is the InChIKey of N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is BGRQBSLDFPFAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-9(2)12-14-11(15-21-12)8-16(3)13(18)10-6-5-7-17(10)22(4,19)20/h9-10H,5-8H2,1-4H3.
What are the key properties of N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 70708816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).