2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide

C14H29N3O2S — CID 62992029

IUPAC2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)NCCCN1CCCC1
InChIInChI=1S/C14H29N3O2S/c18-20(19,13-6-14-4-8-15-9-5-14)16-7-3-12-17-10-1-2-11-17/h14-16H,1-13H2
InChIKeyZUDBLCWBEBLUBY-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.78
Rot. Bonds8

About 2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide

2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide (PubChem CID 62992029) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide.

Molecular Properties

Compound Name2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide
PubChem CID62992029
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide
SMILESO=S(=O)(CCC1CCNCC1)NCCCN1CCCC1
InChIInChI=1S/C14H29N3O2S/c18-20(19,13-6-14-4-8-15-9-5-14)16-7-3-12-17-10-1-2-11-17/h14-16H,1-13H2
InChIKeyZUDBLCWBEBLUBY-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.78
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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Related Compounds

1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 62989954
N-(3-cyclopentylpropyl)-2-piperidin-4-ylethanesulfonamide
CID 106016429
2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide
CID 114135066
4,4,4-trifluoro-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide
CID 83068022
3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride
CID 119994508
N-[2-(4-hydroxyphenyl)ethyl]-2-piperidin-4-ylethanesulfonamide
CID 61236571
1-(3-pyrrolidin-3-ylpropyl)piperidine
CID 54342662
N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride
CID 119994489
methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate
CID 61458394
N-benzyl-2-piperidin-4-ylethanesulfonamide
CID 60890567
N-(2-methylbutyl)-2-piperidin-4-ylethanesulfonamide
CID 62691627
N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine
CID 115230614

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide?
The IUPAC name of 2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide (CID 62992029) is 2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide.
What is the SMILES notation for 2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide?
The canonical SMILES for 2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide is O=S(=O)(CCC1CCNCC1)NCCCN1CCCC1.
What is the InChIKey of 2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide?
The InChIKey is ZUDBLCWBEBLUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c18-20(19,13-6-14-4-8-15-9-5-14)16-7-3-12-17-10-1-2-11-17/h14-16H,1-13H2.
What are the key properties of 2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide?
2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide has a molecular weight of 303.47 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide is sourced from PubChem (CID 62992029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).