N-(3-bromopropyl)-N-methylcyclopropanesulfonamide

C7H14BrNO2S — CID 106441788

IUPACN-(3-bromopropyl)-N-methylcyclopropanesulfonamide
SMILESCN(CCCBr)S(=O)(=O)C1CC1
InChIInChI=1S/C7H14BrNO2S/c1-9(6-2-5-8)12(10,11)7-3-4-7/h7H,2-6H2,1H3
InChIKeyCAYLHCNIFBEDTR-UHFFFAOYSA-N
MW256.16 g/mol
LogP1.20
Rot. Bonds5

About N-(3-bromopropyl)-N-methylcyclopropanesulfonamide

N-(3-bromopropyl)-N-methylcyclopropanesulfonamide (PubChem CID 106441788) has the molecular formula C7H14BrNO2S and a molecular weight of 256.16 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-methylcyclopropanesulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-methylcyclopropanesulfonamide
PubChem CID106441788
Molecular FormulaC7H14BrNO2S
Molecular Weight256.16 g/mol
Exact Mass254.99
IUPAC NameN-(3-bromopropyl)-N-methylcyclopropanesulfonamide
SMILESCN(CCCBr)S(=O)(=O)C1CC1
InChIInChI=1S/C7H14BrNO2S/c1-9(6-2-5-8)12(10,11)7-3-4-7/h7H,2-6H2,1H3
InChIKeyCAYLHCNIFBEDTR-UHFFFAOYSA-N
XLogP1.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 51.20
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-bromoethyl)-N-cyclopropylethanesulfonamide
CID 80667041
N-(2-bromopropyl)-1-cyclopropyl-N-methylmethanesulfonamide
CID 80667113
N-(2-bromoethyl)-N-cyclopropylbutane-1-sulfonamide
CID 80667256
N-(2-bromopropyl)-N-methylpropane-2-sulfonamide
CID 80667325
N-(2-bromoethyl)-N-cyclopropylpropane-2-sulfonamide
CID 80667591
N-(2-bromopropyl)-N-methylcyclopropanesulfonamide
CID 80667653
N-(2-bromoethyl)-N-cyclopropylpropane-1-sulfonamide
CID 80668113
N-(2-bromoethyl)-N-methylbutane-1-sulfonamide
CID 80668672
N-(2-bromoethyl)-N-butylcyclopropanesulfonamide
CID 80668832
N-(2-bromoethyl)-N-methylpropane-1-sulfonamide
CID 80668875
N-(2-bromoethyl)-N-methylcyclopropanesulfonamide
CID 80669337
N-(2-bromoethyl)-N-methylethanesulfonamide
CID 80669762

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-methylcyclopropanesulfonamide?
The IUPAC name of N-(3-bromopropyl)-N-methylcyclopropanesulfonamide (CID 106441788) is N-(3-bromopropyl)-N-methylcyclopropanesulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-N-methylcyclopropanesulfonamide?
The canonical SMILES for N-(3-bromopropyl)-N-methylcyclopropanesulfonamide is CN(CCCBr)S(=O)(=O)C1CC1.
What is the InChIKey of N-(3-bromopropyl)-N-methylcyclopropanesulfonamide?
The InChIKey is CAYLHCNIFBEDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO2S/c1-9(6-2-5-8)12(10,11)7-3-4-7/h7H,2-6H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-methylcyclopropanesulfonamide?
N-(3-bromopropyl)-N-methylcyclopropanesulfonamide has a molecular weight of 256.16 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-methylcyclopropanesulfonamide is sourced from PubChem (CID 106441788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).