tert-butyl 2-[4-(butylsulfamoyl)piperidin-1-yl]acetate

C15H30N2O4S — CID 170112376

IUPACtert-butyl 2-[4-(butylsulfamoyl)piperidin-1-yl]acetate
SMILESCCCCNS(=O)(=O)C1CCN(CC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O4S/c1-5-6-9-16-22(19,20)13-7-10-17(11-8-13)12-14(18)21-15(2,3)4/h13,16H,5-12H2,1-4H3
InChIKeyAIUUXKYCHYAVRX-UHFFFAOYSA-N
MW334.48 g/mol
LogP1.51
Rot. Bonds7

About tert-butyl 2-[4-(butylsulfamoyl)piperidin-1-yl]acetate

tert-butyl 2-[4-(butylsulfamoyl)piperidin-1-yl]acetate (PubChem CID 170112376) has the molecular formula C15H30N2O4S and a molecular weight of 334.48 g/mol. Its IUPAC name is tert-butyl 2-[4-(butylsulfamoyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-(butylsulfamoyl)piperidin-1-yl]acetate
PubChem CID170112376
Molecular FormulaC15H30N2O4S
Molecular Weight334.48 g/mol
Exact Mass334.19
IUPAC Nametert-butyl 2-[4-(butylsulfamoyl)piperidin-1-yl]acetate
SMILESCCCCNS(=O)(=O)C1CCN(CC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O4S/c1-5-6-9-16-22(19,20)13-7-10-17(11-8-13)12-14(18)21-15(2,3)4/h13,16H,5-12H2,1-4H3
InChIKeyAIUUXKYCHYAVRX-UHFFFAOYSA-N
XLogP1.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 tert-butyl 2-[4-(butylsulfamoyl)piperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-(butylsulfamoyl)piperidin-1-yl]acetate (CID 170112376) is tert-butyl 2-[4-(butylsulfamoyl)piperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-(butylsulfamoyl)piperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-(butylsulfamoyl)piperidin-1-yl]acetate is CCCCNS(=O)(=O)C1CCN(CC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[4-(butylsulfamoyl)piperidin-1-yl]acetate?
The InChIKey is AIUUXKYCHYAVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4S/c1-5-6-9-16-22(19,20)13-7-10-17(11-8-13)12-14(18)21-15(2,3)4/h13,16H,5-12H2,1-4H3.
What are the key properties of tert-butyl 2-[4-(butylsulfamoyl)piperidin-1-yl]acetate?
tert-butyl 2-[4-(butylsulfamoyl)piperidin-1-yl]acetate has a molecular weight of 334.48 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(butylsulfamoyl)piperidin-1-yl]acetate is sourced from PubChem (CID 170112376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).