6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid

C10H20N2O4S — CID 28783630

IUPAC6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H20N2O4S/c13-10(14)6-2-1-3-7-11-17(15,16)12-8-4-5-9-12/h11H,1-9H2,(H,13,14)
InChIKeyWMVXMHBLXYHODC-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.56
Rot. Bonds8

About 6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid

6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid (PubChem CID 28783630) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid
PubChem CID28783630
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid
SMILESO=C(O)CCCCCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H20N2O4S/c13-10(14)6-2-1-3-7-11-17(15,16)12-8-4-5-9-12/h11H,1-9H2,(H,13,14)
InChIKeyWMVXMHBLXYHODC-UHFFFAOYSA-N
XLogP0.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(morpholin-4-ylsulfonylamino)heptanoic acid
CID 28784453
methyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate
CID 43423056
N-(6-aminohexyl)piperidine-1-sulfonamide
CID 114008123
N-(3-chloropropyl)piperidine-1-sulfonamide
CID 43133782
(2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 104934018
5-(piperidin-1-ylsulfonylamino)hexanoic acid
CID 82854421
4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide
CID 76953279
8-(ethylsulfonylamino)octanoic acid
CID 21103229
N-[3-(ethylsulfonylamino)propyl]azepane-1-sulfonamide
CID 49459638
2-methyl-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 80540441
N-(3-cyanopropyl)azepane-1-sulfonamide
CID 62665686
2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945674

Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid?
The IUPAC name of 6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid (CID 28783630) is 6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid.
What is the SMILES notation for 6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid?
The canonical SMILES for 6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid is O=C(O)CCCCCNS(=O)(=O)N1CCCC1.
What is the InChIKey of 6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid?
The InChIKey is WMVXMHBLXYHODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c13-10(14)6-2-1-3-7-11-17(15,16)12-8-4-5-9-12/h11H,1-9H2,(H,13,14).
What are the key properties of 6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid?
6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid has a molecular weight of 264.35 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid is sourced from PubChem (CID 28783630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).