2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide

C8H16BrN3O3S — CID 83084786

IUPAC2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NS(=O)(=O)CBr)CC1
InChIInChI=1S/C8H16BrN3O3S/c9-6-16(14,15)11-7-1-3-12(4-2-7)5-8(10)13/h7,11H,1-6H2,(H2,10,13)
InChIKeyZIJJZLSIRIQHKJ-UHFFFAOYSA-N
MW314.21 g/mol
LogP-0.79
Rot. Bonds5

About 2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide

2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide (PubChem CID 83084786) has the molecular formula C8H16BrN3O3S and a molecular weight of 314.21 g/mol. Its IUPAC name is 2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide
PubChem CID83084786
Molecular FormulaC8H16BrN3O3S
Molecular Weight314.21 g/mol
Exact Mass313.01
IUPAC Name2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NS(=O)(=O)CBr)CC1
InChIInChI=1S/C8H16BrN3O3S/c9-6-16(14,15)11-7-1-3-12(4-2-7)5-8(10)13/h7,11H,1-6H2,(H2,10,13)
InChIKeyZIJJZLSIRIQHKJ-UHFFFAOYSA-N
XLogP-0.79
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-bromophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 60707706
1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide
CID 83084018
2-[4-(2-phenoxyethylsulfonylamino)piperidin-1-yl]acetamide
CID 122566592
2-[4-[(3,5-dichlorophenyl)sulfonylamino]piperidin-1-yl]acetamide
CID 86915412
2-[4-(pentan-3-ylamino)piperidin-1-yl]acetamide
CID 43746855
2-[4-(cyclopropylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
CID 104978488
2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 74958986
2-(4-hydroxypiperidin-1-yl)acetamide
CID 14799132
2-[4-[(2-chloroacetyl)amino]piperidin-1-yl]acetamide
CID 43425925
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(cyclopropylsulfamoyl)benzamide
CID 18278929
2-[4-[(3-methylcyclobutyl)amino]piperidin-1-yl]acetamide
CID 104859652
2-[4-[(1-oxothian-4-yl)amino]piperidin-1-yl]acetamide
CID 54981867

Frequently Asked Questions

What is the IUPAC name of 2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide (CID 83084786) is 2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide is NC(=O)CN1CCC(NS(=O)(=O)CBr)CC1.
What is the InChIKey of 2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide?
The InChIKey is ZIJJZLSIRIQHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN3O3S/c9-6-16(14,15)11-7-1-3-12(4-2-7)5-8(10)13/h7,11H,1-6H2,(H2,10,13).
What are the key properties of 2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide?
2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide has a molecular weight of 314.21 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bromomethylsulfonylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 83084786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).