1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane

C9H17BrO3S — CID 65008377

IUPAC1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane
SMILESCOCCCS(=O)(=O)CC1(CBr)CC1
InChIInChI=1S/C9H17BrO3S/c1-13-5-2-6-14(11,12)8-9(7-10)3-4-9/h2-8H2,1H3
InChIKeyOPVHVUCLPPURKV-UHFFFAOYSA-N
MW285.20 g/mol
LogP1.61
Rot. Bonds7

About 1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane

1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane (PubChem CID 65008377) has the molecular formula C9H17BrO3S and a molecular weight of 285.20 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane
PubChem CID65008377
Molecular FormulaC9H17BrO3S
Molecular Weight285.20 g/mol
Exact Mass284.01
IUPAC Name1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane
SMILESCOCCCS(=O)(=O)CC1(CBr)CC1
InChIInChI=1S/C9H17BrO3S/c1-13-5-2-6-14(11,12)8-9(7-10)3-4-9/h2-8H2,1H3
InChIKeyOPVHVUCLPPURKV-UHFFFAOYSA-N
XLogP1.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane
CID 65001157
2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65443321
1-bromo-4-(2-methoxyethylsulfonyl)butane
CID 43445961
3-(3-methoxypropylsulfonyl)-N-methylpropan-1-amine
CID 64675855
1-(3-methoxypropylsulfonyl)-2,2-dimethylpropane
CID 134597513
4-(bromomethyl)-4-(ethylsulfonylmethyl)oxane
CID 65004666
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide
CID 115456941
N-[[1-(bromomethyl)cyclobutyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 65009847
[1-(bromomethyl)cyclopropyl]methylsulfonylmethylbenzene
CID 65009780
1-chloro-6-(3-methoxypropylsulfonyl)hexane
CID 63857365
N-[[1-(bromomethyl)cycloheptyl]methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 65010281
1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane
CID 103185009

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane?
The IUPAC name of 1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane (CID 65008377) is 1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane.
What is the SMILES notation for 1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane?
The canonical SMILES for 1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane is COCCCS(=O)(=O)CC1(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane?
The InChIKey is OPVHVUCLPPURKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrO3S/c1-13-5-2-6-14(11,12)8-9(7-10)3-4-9/h2-8H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane?
1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane has a molecular weight of 285.20 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(3-methoxypropylsulfonylmethyl)cyclopropane is sourced from PubChem (CID 65008377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).