N-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide

C14H21BrN2O2S — CID 102873306

IUPACN-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccncc1)N(CCCBr)C1CCC1
InChIInChI=1S/C14H21BrN2O2S/c15-8-2-11-17(14-3-1-4-14)20(18,19)12-7-13-5-9-16-10-6-13/h5-6,9-10,14H,1-4,7-8,11-12H2
InChIKeyDJWOVDVUHDXMTM-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.59
Rot. Bonds8

About N-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide

N-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide (PubChem CID 102873306) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide
PubChem CID102873306
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccncc1)N(CCCBr)C1CCC1
InChIInChI=1S/C14H21BrN2O2S/c15-8-2-11-17(14-3-1-4-14)20(18,19)12-7-13-5-9-16-10-6-13/h5-6,9-10,14H,1-4,7-8,11-12H2
InChIKeyDJWOVDVUHDXMTM-UHFFFAOYSA-N
XLogP2.59
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-cyclohexyl-2-pyridin-4-ylethanesulfonamide
CID 80668910
N-(2-bromoethyl)-N-cyclopentyl-2-phenylethanesulfonamide
CID 80687108
3-[cyclopropyl(2-pyridin-4-ylethylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 76911647
N-piperidin-3-yl-N-propyl-2-pyridin-4-ylethanesulfonamide
CID 60891329
N-(3-bromopropyl)-N-cyclobutylpropane-1-sulfonamide
CID 102873337
N-ethyl-N-piperidin-4-yl-2-pyridin-4-ylethanesulfonamide
CID 60890944
N-(3-bromopropyl)-N-cyclobutylethanesulfonamide
CID 102873368
N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
CID 102873356
N-(2-bromoethyl)-N-(pyridin-4-ylmethyl)cyclobutanamine
CID 102861074
N-(3-bromopropyl)-N-cyclobutyl-5-fluoropyridine-3-sulfonamide
CID 102873353
N-(2-bromoethyl)-N-cyclobutyl-2-methylsulfonylethanesulfonamide
CID 102873556
2,5-dibromo-N-(3-bromopropyl)-N-cyclobutylbenzenesulfonamide
CID 102873318

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide (CID 102873306) is N-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide is O=S(=O)(CCc1ccncc1)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide?
The InChIKey is DJWOVDVUHDXMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c15-8-2-11-17(14-3-1-4-14)20(18,19)12-7-13-5-9-16-10-6-13/h5-6,9-10,14H,1-4,7-8,11-12H2.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide?
N-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide has a molecular weight of 361.31 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 102873306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).