N-(3-bromopropyl)-N-butylmethanesulfonamide

C8H18BrNO2S — CID 138921783

IUPACN-(3-bromopropyl)-N-butylmethanesulfonamide
SMILESCCCCN(CCCBr)S(C)(=O)=O
InChIInChI=1S/C8H18BrNO2S/c1-3-4-7-10(8-5-6-9)13(2,11)12/h3-8H2,1-2H3
InChIKeyOFONRFCFKCJFEU-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.83
Rot. Bonds7

About N-(3-bromopropyl)-N-butylmethanesulfonamide

N-(3-bromopropyl)-N-butylmethanesulfonamide (PubChem CID 138921783) has the molecular formula C8H18BrNO2S and a molecular weight of 272.21 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-butylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-butylmethanesulfonamide
PubChem CID138921783
Molecular FormulaC8H18BrNO2S
Molecular Weight272.21 g/mol
Exact Mass271.02
IUPAC NameN-(3-bromopropyl)-N-butylmethanesulfonamide
SMILESCCCCN(CCCBr)S(C)(=O)=O
InChIInChI=1S/C8H18BrNO2S/c1-3-4-7-10(8-5-6-9)13(2,11)12/h3-8H2,1-2H3
InChIKeyOFONRFCFKCJFEU-UHFFFAOYSA-N
XLogP1.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.83
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-ethyl-N-tetradecylmethanesulfonamide
CID 91715481
3-bromopropyl(butyl)carbamic acid
CID 118525445
N,N-bis(3-hydroxypropyl)methanesulfonamide
CID 20746482
N-(2-bromoethyl)-N-butyl-3-methoxypropane-1-sulfonamide
CID 80670145
1-bromobutane;sulfuryl dichloride
CID 159220467
N,N-dimethylmethanesulfonamide;ethane;hexane
CID 91522077
N,N-dipentylethanesulfonamide
CID 3453334
N-(hydroxymethyl)-N-propylmethanesulfonamide
CID 90392308
N,N-dimethylbutan-1-amine;methanesulfonic acid
CID 174158325
N-butyl-N-methylsulfonylacetamide
CID 45377177
2-[butyl(2-hydroxyethyl)amino]ethanol;methanesulfonic acid
CID 131862284
N-(2-bromoethyl)-N-butyl-1-cyclopropylmethanesulfonamide
CID 80669821

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-butylmethanesulfonamide?
The IUPAC name of N-(3-bromopropyl)-N-butylmethanesulfonamide (CID 138921783) is N-(3-bromopropyl)-N-butylmethanesulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-N-butylmethanesulfonamide?
The canonical SMILES for N-(3-bromopropyl)-N-butylmethanesulfonamide is CCCCN(CCCBr)S(C)(=O)=O.
What is the InChIKey of N-(3-bromopropyl)-N-butylmethanesulfonamide?
The InChIKey is OFONRFCFKCJFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO2S/c1-3-4-7-10(8-5-6-9)13(2,11)12/h3-8H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-N-butylmethanesulfonamide?
N-(3-bromopropyl)-N-butylmethanesulfonamide has a molecular weight of 272.21 g/mol, XLogP of 1.83, 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-butylmethanesulfonamide is sourced from PubChem (CID 138921783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).