1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

C14H27N3O4S — CID 59540117

IUPAC1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCCN1C(=O)C(NS(C)(=O)=O)C(C)C
InChIInChI=1S/C14H27N3O4S/c1-9(2)12(16-22(5,20)21)14(19)17-8-6-7-11(17)13(18)15-10(3)4/h9-12,16H,6-8H2,1-5H3,(H,15,18)
InChIKeyGRAYHCFLYFHGCT-UHFFFAOYSA-N
MW333.45 g/mol
LogP0.08
Rot. Bonds6

About 1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 59540117) has the molecular formula C14H27N3O4S and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID59540117
Molecular FormulaC14H27N3O4S
Molecular Weight333.45 g/mol
Exact Mass333.17
IUPAC Name1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)C1CCCN1C(=O)C(NS(C)(=O)=O)C(C)C
InChIInChI=1S/C14H27N3O4S/c1-9(2)12(16-22(5,20)21)14(19)17-8-6-7-11(17)13(18)15-10(3)4/h9-12,16H,6-8H2,1-5H3,(H,15,18)
InChIKeyGRAYHCFLYFHGCT-UHFFFAOYSA-N
XLogP0.08
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 59540117) is 1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)C1CCCN1C(=O)C(NS(C)(=O)=O)C(C)C.
What is the InChIKey of 1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is GRAYHCFLYFHGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4S/c1-9(2)12(16-22(5,20)21)14(19)17-8-6-7-11(17)13(18)15-10(3)4/h9-12,16H,6-8H2,1-5H3,(H,15,18).
What are the key properties of 1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 333.45 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)-3-methylbutanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59540117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).