N-(3-aminopropyl)-2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide

C10H23N3O3S — CID 102778560

IUPACN-(3-aminopropyl)-2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(C)CCCN)C1CO
InChIInChI=1S/C10H23N3O3S/c1-9-4-7-13(10(9)8-14)17(15,16)12(2)6-3-5-11/h9-10,14H,3-8,11H2,1-2H3
InChIKeyAJBCVOAXUZBTRT-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.79
Rot. Bonds6

About N-(3-aminopropyl)-2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide

N-(3-aminopropyl)-2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide (PubChem CID 102778560) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide
PubChem CID102778560
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN-(3-aminopropyl)-2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(C)CCCN)C1CO
InChIInChI=1S/C10H23N3O3S/c1-9-4-7-13(10(9)8-14)17(15,16)12(2)6-3-5-11/h9-10,14H,3-8,11H2,1-2H3
InChIKeyAJBCVOAXUZBTRT-UHFFFAOYSA-N
XLogP-0.79
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide (CID 102778560) is N-(3-aminopropyl)-2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide is CC1CCN(S(=O)(=O)N(C)CCCN)C1CO.
What is the InChIKey of N-(3-aminopropyl)-2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is AJBCVOAXUZBTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-9-4-7-13(10(9)8-14)17(15,16)12(2)6-3-5-11/h9-10,14H,3-8,11H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide?
N-(3-aminopropyl)-2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 265.38 g/mol, XLogP of -0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(hydroxymethyl)-N,3-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 102778560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).