N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide

C14H28N2O3S — CID 102915113

IUPACN-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)C(CNC(=O)C1CCCN1S(C)(=O)=O)C(C)C
InChIInChI=1S/C14H28N2O3S/c1-10(2)12(11(3)4)9-15-14(17)13-7-6-8-16(13)20(5,18)19/h10-13H,6-9H2,1-5H3,(H,15,17)
InChIKeyBDZXJZJWUFDFFT-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.45
Rot. Bonds6

About N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide

N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 102915113) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID102915113
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)C(CNC(=O)C1CCCN1S(C)(=O)=O)C(C)C
InChIInChI=1S/C14H28N2O3S/c1-10(2)12(11(3)4)9-15-14(17)13-7-6-8-16(13)20(5,18)19/h10-13H,6-9H2,1-5H3,(H,15,17)
InChIKeyBDZXJZJWUFDFFT-UHFFFAOYSA-N
XLogP1.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide (CID 102915113) is N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide is CC(C)C(CNC(=O)C1CCCN1S(C)(=O)=O)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is BDZXJZJWUFDFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-10(2)12(11(3)4)9-15-14(17)13-7-6-8-16(13)20(5,18)19/h10-13H,6-9H2,1-5H3,(H,15,17).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102915113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).