N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide

C10H20BrNO2S — CID 102873337

IUPACN-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCCBr)C1CCC1
InChIInChI=1S/C10H20BrNO2S/c1-2-9-15(13,14)12(8-4-7-11)10-5-3-6-10/h10H,2-9H2,1H3
InChIKeyBCAOWSZZXIVGIM-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.37
Rot. Bonds7

About N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide

N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide (PubChem CID 102873337) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide
PubChem CID102873337
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CCCBr)C1CCC1
InChIInChI=1S/C10H20BrNO2S/c1-2-9-15(13,14)12(8-4-7-11)10-5-3-6-10/h10H,2-9H2,1H3
InChIKeyBCAOWSZZXIVGIM-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-N-cyclobutylethanesulfonamide
CID 102873368
N-(3-chloropropyl)-N-cyclobutylpropane-1-sulfonamide
CID 102873426
N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide
CID 102873556
N-(2-bromoethyl)-N-cyclopropylethanesulfonamide
CID 80667041
N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 102847467
N-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide
CID 102873306
N-(2-bromoethyl)-N-cyclobutyl-2-propan-2-yloxyethanesulfonamide
CID 102873490
N-(2-aminoethyl)-N-cyclobutylethanesulfonamide
CID 102874418
N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclobutanamine
CID 106731454
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide
CID 102847521
N-butyl-N-cyclopropyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972501
N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine
CID 106731144

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide (CID 102873337) is N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide is CCCS(=O)(=O)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide?
The InChIKey is BCAOWSZZXIVGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-2-9-15(13,14)12(8-4-7-11)10-5-3-6-10/h10H,2-9H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide?
N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide has a molecular weight of 298.25 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide is sourced from PubChem (CID 102873337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).