1-nonylsulfonyl-2-undecylpyrrolidine

C24H49NO2S — CID 59852635

IUPAC1-nonylsulfonyl-2-undecylpyrrolidine
SMILESCCCCCCCCCCCC1CCCN1S(=O)(=O)CCCCCCCCC
InChIInChI=1S/C24H49NO2S/c1-3-5-7-9-11-12-13-15-17-20-24-21-19-22-25(24)28(26,27)23-18-16-14-10-8-6-4-2/h24H,3-23H2,1-2H3
InChIKeyVEDYUZUEEWOUET-UHFFFAOYSA-N
MW415.73 g/mol
LogP7.45
Rot. Bonds19

About 1-nonylsulfonyl-2-undecylpyrrolidine

1-nonylsulfonyl-2-undecylpyrrolidine (PubChem CID 59852635) has the molecular formula C24H49NO2S and a molecular weight of 415.73 g/mol. Its IUPAC name is 1-nonylsulfonyl-2-undecylpyrrolidine.

Molecular Properties

Compound Name1-nonylsulfonyl-2-undecylpyrrolidine
PubChem CID59852635
Molecular FormulaC24H49NO2S
Molecular Weight415.73 g/mol
Exact Mass415.35
IUPAC Name1-nonylsulfonyl-2-undecylpyrrolidine
SMILESCCCCCCCCCCCC1CCCN1S(=O)(=O)CCCCCCCCC
InChIInChI=1S/C24H49NO2S/c1-3-5-7-9-11-12-13-15-17-20-24-21-19-22-25(24)28(26,27)23-18-16-14-10-8-6-4-2/h24H,3-23H2,1-2H3
InChIKeyVEDYUZUEEWOUET-UHFFFAOYSA-N
XLogP7.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.73
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1-propylsulfonylpyrrolidin-2-yl)propan-1-amine
CID 63765660
2-(3-chloropropyl)-1-propylsulfonylpyrrolidine
CID 63400983
2-(1-butylsulfonylpiperidin-2-yl)ethanamine
CID 63767348
1-benzylsulfonyl-2-decylpyrrolidine
CID 59852625
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
2-(bromomethyl)-1-propylsulfonylpyrrolidine
CID 74554979
1-methyl-2-tetradecylpyrrolidine
CID 24796983
2-(2-propylpiperidin-1-yl)sulfonylethanamine
CID 83053375
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
methyl 4-(2-propylpiperidin-1-yl)sulfonylbutanoate
CID 83053832
[1-(3-chloropropylsulfonyl)pyrrolidin-2-yl]methanol
CID 61409661
1-(3-chloropropylsulfonyl)-2-ethylazepane
CID 104691218

Frequently Asked Questions

What is the IUPAC name of 1-nonylsulfonyl-2-undecylpyrrolidine?
The IUPAC name of 1-nonylsulfonyl-2-undecylpyrrolidine (CID 59852635) is 1-nonylsulfonyl-2-undecylpyrrolidine.
What is the SMILES notation for 1-nonylsulfonyl-2-undecylpyrrolidine?
The canonical SMILES for 1-nonylsulfonyl-2-undecylpyrrolidine is CCCCCCCCCCCC1CCCN1S(=O)(=O)CCCCCCCCC.
What is the InChIKey of 1-nonylsulfonyl-2-undecylpyrrolidine?
The InChIKey is VEDYUZUEEWOUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO2S/c1-3-5-7-9-11-12-13-15-17-20-24-21-19-22-25(24)28(26,27)23-18-16-14-10-8-6-4-2/h24H,3-23H2,1-2H3.
What are the key properties of 1-nonylsulfonyl-2-undecylpyrrolidine?
1-nonylsulfonyl-2-undecylpyrrolidine has a molecular weight of 415.73 g/mol, XLogP of 7.45, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonylsulfonyl-2-undecylpyrrolidine is sourced from PubChem (CID 59852635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).