N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide

C10H20BrNO2S — CID 107848846

IUPACN-(6-bromohexyl)-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NCCCCCCBr
InChIInChI=1S/C10H20BrNO2S/c11-7-3-1-2-4-8-12-15(13,14)9-10-5-6-10/h10,12H,1-9H2
InChIKeyCWRQFINKOHRCRP-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.27
Rot. Bonds9

About N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide

N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide (PubChem CID 107848846) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-1-cyclopropylmethanesulfonamide
PubChem CID107848846
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-(6-bromohexyl)-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NCCCCCCBr
InChIInChI=1S/C10H20BrNO2S/c11-7-3-1-2-4-8-12-15(13,14)9-10-5-6-10/h10,12H,1-9H2
InChIKeyCWRQFINKOHRCRP-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-1-cyclopropylmethanesulfonamide;hydrochloride
CID 120583339
N-(3-aminopropyl)-1-cyclopropylmethanesulfonamide
CID 64990338
N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide
CID 107323115
ethyl 4-(cyclopropylmethylsulfonylamino)butanoate
CID 64988986
N-(6-bromohexyl)cyclohexanesulfonamide
CID 107848725
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070
N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide
CID 107322937
N-(5-bromopentyl)methanesulfonamide
CID 107323102
N-(6-bromohexyl)-1,1-difluoromethanesulfonamide
CID 107848811
N-(6-bromohexyl)oxane-4-sulfonamide
CID 107848871
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1-cyclopropylmethanesulfonamide
CID 114758715
N-(5-bromopentyl)-2-methoxyethanesulfonamide
CID 107323052

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide (CID 107848846) is N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide is O=S(=O)(CC1CC1)NCCCCCCBr.
What is the InChIKey of N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide?
The InChIKey is CWRQFINKOHRCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c11-7-3-1-2-4-8-12-15(13,14)9-10-5-6-10/h10,12H,1-9H2.
What are the key properties of N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide?
N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide has a molecular weight of 298.25 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 107848846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).