N-(2-bromopropyl)-N-methylethanesulfonamide

C6H14BrNO2S — CID 80671739

IUPACN-(2-bromopropyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC(C)Br
InChIInChI=1S/C6H14BrNO2S/c1-4-11(9,10)8(3)5-6(2)7/h6H,4-5H2,1-3H3
InChIKeyLSRDTBGIDSOXSY-UHFFFAOYSA-N
MW244.15 g/mol
LogP1.05
Rot. Bonds4

About N-(2-bromopropyl)-N-methylethanesulfonamide

N-(2-bromopropyl)-N-methylethanesulfonamide (PubChem CID 80671739) has the molecular formula C6H14BrNO2S and a molecular weight of 244.15 g/mol. Its IUPAC name is N-(2-bromopropyl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-N-methylethanesulfonamide
PubChem CID80671739
Molecular FormulaC6H14BrNO2S
Molecular Weight244.15 g/mol
Exact Mass242.99
IUPAC NameN-(2-bromopropyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CC(C)Br
InChIInChI=1S/C6H14BrNO2S/c1-4-11(9,10)8(3)5-6(2)7/h6H,4-5H2,1-3H3
InChIKeyLSRDTBGIDSOXSY-UHFFFAOYSA-N
XLogP1.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 51.05
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-(2-bromopropyl)-N-methylpiperidine-1-sulfonamide
CID 80671423
N-(2-bromopropyl)-2-ethyl-N-methyl-1H-imidazole-5-sulfonamide
CID 80666785
N,N-di(propan-2-yl)ethanesulfonamide
CID 3289511
N-(2-bromopropyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 80668082
N-(2-bromopropyl)-N-methylpropanamide
CID 80665081
N-(2-bromopropyl)-N-methylpentanamide
CID 80666538
1-bromo-N-(2-cyanopropyl)-N-methylmethanesulfonamide
CID 83085313
N-(2-bromo-3-methoxypropyl)-N,2,2-trimethylpropane-1-sulfonamide
CID 80673178
N-(2-bromo-3-methoxypropyl)-N,3-dimethylbutane-1-sulfonamide
CID 80673815
2-[ethylsulfonyl(methyl)amino]ethanesulfonic acid
CID 175207479
N-(2-bromopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089670
N-(2-bromopropyl)-N,2-dimethyl-2-methylsulfonylpropanamide
CID 80666116

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-N-methylethanesulfonamide?
The IUPAC name of N-(2-bromopropyl)-N-methylethanesulfonamide (CID 80671739) is N-(2-bromopropyl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(2-bromopropyl)-N-methylethanesulfonamide?
The canonical SMILES for N-(2-bromopropyl)-N-methylethanesulfonamide is CCS(=O)(=O)N(C)CC(C)Br.
What is the InChIKey of N-(2-bromopropyl)-N-methylethanesulfonamide?
The InChIKey is LSRDTBGIDSOXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrNO2S/c1-4-11(9,10)8(3)5-6(2)7/h6H,4-5H2,1-3H3.
What are the key properties of N-(2-bromopropyl)-N-methylethanesulfonamide?
N-(2-bromopropyl)-N-methylethanesulfonamide has a molecular weight of 244.15 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-N-methylethanesulfonamide is sourced from PubChem (CID 80671739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).