N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide

C10H19BrN2O3S — CID 107904557

IUPACN-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)C(C)Br)CC1
InChIInChI=1S/C10H19BrN2O3S/c1-3-17(15,16)12-9-4-6-13(7-5-9)10(14)8(2)11/h8-9,12H,3-7H2,1-2H3
InChIKeyRIYPXRYXSIJYNI-UHFFFAOYSA-N
MW327.24 g/mol
LogP0.70
Rot. Bonds4

About N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide

N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide (PubChem CID 107904557) has the molecular formula C10H19BrN2O3S and a molecular weight of 327.24 g/mol. Its IUPAC name is N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
PubChem CID107904557
Molecular FormulaC10H19BrN2O3S
Molecular Weight327.24 g/mol
Exact Mass326.03
IUPAC NameN-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)C(C)Br)CC1
InChIInChI=1S/C10H19BrN2O3S/c1-3-17(15,16)12-9-4-6-13(7-5-9)10(14)8(2)11/h8-9,12H,3-7H2,1-2H3
InChIKeyRIYPXRYXSIJYNI-UHFFFAOYSA-N
XLogP0.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-chloropropanoyl)piperidin-4-yl]ethanesulfonamide
CID 54875918
N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
CID 110820083
methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide
CID 62474673
N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide
CID 60949730
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
4-[4-(ethylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992611
methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate
CID 110819833
N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide
CID 78958031
2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 79345168
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 64610162
N-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide
CID 119732749

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide (CID 107904557) is N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)C(C)Br)CC1.
What is the InChIKey of N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is RIYPXRYXSIJYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O3S/c1-3-17(15,16)12-9-4-6-13(7-5-9)10(14)8(2)11/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide?
N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 327.24 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 107904557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).