N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide

C12H24N2O4S — CID 103771592

IUPACN-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-9(2)7-10(15)8-13-12(16)11-5-4-6-14(11)19(3,17)18/h9-11,15H,4-8H2,1-3H3,(H,13,16)
InChIKeySXHOKZRUMSHODJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.07
Rot. Bonds6

About N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide

N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 103771592) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID103771592
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-9(2)7-10(15)8-13-12(16)11-5-4-6-14(11)19(3,17)18/h9-11,15H,4-8H2,1-3H3,(H,13,16)
InChIKeySXHOKZRUMSHODJ-UHFFFAOYSA-N
XLogP-0.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide (CID 103771592) is N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide is CC(C)CC(O)CNC(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is SXHOKZRUMSHODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-9(2)7-10(15)8-13-12(16)11-5-4-6-14(11)19(3,17)18/h9-11,15H,4-8H2,1-3H3,(H,13,16).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 103771592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).