1-[3-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-3-sulfonamide

C11H23N3O3S — CID 174111368

IUPAC1-[3-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-3-sulfonamide
SMILESCC(C)N(C)CCC(=O)N1CCC(S(N)(=O)=O)C1
InChIInChI=1S/C11H23N3O3S/c1-9(2)13(3)6-5-11(15)14-7-4-10(8-14)18(12,16)17/h9-10H,4-8H2,1-3H3,(H2,12,16,17)
InChIKeyDJBXYQFLEORQAY-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.39
Rot. Bonds5

About 1-[3-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-3-sulfonamide

1-[3-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-3-sulfonamide (PubChem CID 174111368) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-[3-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[3-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-3-sulfonamide
PubChem CID174111368
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name1-[3-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-3-sulfonamide
SMILESCC(C)N(C)CCC(=O)N1CCC(S(N)(=O)=O)C1
InChIInChI=1S/C11H23N3O3S/c1-9(2)13(3)6-5-11(15)14-7-4-10(8-14)18(12,16)17/h9-10H,4-8H2,1-3H3,(H2,12,16,17)
InChIKeyDJBXYQFLEORQAY-UHFFFAOYSA-N
XLogP-0.39
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-3-sulfonamide?
The IUPAC name of 1-[3-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-3-sulfonamide (CID 174111368) is 1-[3-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[3-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[3-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-3-sulfonamide is CC(C)N(C)CCC(=O)N1CCC(S(N)(=O)=O)C1.
What is the InChIKey of 1-[3-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-3-sulfonamide?
The InChIKey is DJBXYQFLEORQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-9(2)13(3)6-5-11(15)14-7-4-10(8-14)18(12,16)17/h9-10H,4-8H2,1-3H3,(H2,12,16,17).
What are the key properties of 1-[3-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-3-sulfonamide?
1-[3-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-3-sulfonamide has a molecular weight of 277.39 g/mol, XLogP of -0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[methyl(propan-2-yl)amino]propanoyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 174111368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).