1-(4-aminobutylsulfonyl)pyrrolidin-3-ol

C8H18N2O3S — CID 62941539

IUPAC1-(4-aminobutylsulfonyl)pyrrolidin-3-ol
SMILESNCCCCS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C8H18N2O3S/c9-4-1-2-6-14(12,13)10-5-3-8(11)7-10/h8,11H,1-7,9H2
InChIKeyLMWGYKRYPWNUKV-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.88
Rot. Bonds5

About 1-(4-aminobutylsulfonyl)pyrrolidin-3-ol

1-(4-aminobutylsulfonyl)pyrrolidin-3-ol (PubChem CID 62941539) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(4-aminobutylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-aminobutylsulfonyl)pyrrolidin-3-ol
PubChem CID62941539
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name1-(4-aminobutylsulfonyl)pyrrolidin-3-ol
SMILESNCCCCS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C8H18N2O3S/c9-4-1-2-6-14(12,13)10-5-3-8(11)7-10/h8,11H,1-7,9H2
InChIKeyLMWGYKRYPWNUKV-UHFFFAOYSA-N
XLogP-0.88
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of 1-(4-aminobutylsulfonyl)pyrrolidin-3-ol (CID 62941539) is 1-(4-aminobutylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4-aminobutylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4-aminobutylsulfonyl)pyrrolidin-3-ol is NCCCCS(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-(4-aminobutylsulfonyl)pyrrolidin-3-ol?
The InChIKey is LMWGYKRYPWNUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c9-4-1-2-6-14(12,13)10-5-3-8(11)7-10/h8,11H,1-7,9H2.
What are the key properties of 1-(4-aminobutylsulfonyl)pyrrolidin-3-ol?
1-(4-aminobutylsulfonyl)pyrrolidin-3-ol has a molecular weight of 222.31 g/mol, XLogP of -0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 62941539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).