N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide

C10H22BrNO3S — CID 107848783

IUPACN-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCCCCCCBr
InChIInChI=1S/C10H22BrNO3S/c1-15-9-6-10-16(13,14)12-8-5-3-2-4-7-11/h12H,2-10H2,1H3
InChIKeyAXWZMWQKVAXWKJ-UHFFFAOYSA-N
MW316.26 g/mol
LogP1.90
Rot. Bonds11

About N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide

N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide (PubChem CID 107848783) has the molecular formula C10H22BrNO3S and a molecular weight of 316.26 g/mol. Its IUPAC name is N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
PubChem CID107848783
Molecular FormulaC10H22BrNO3S
Molecular Weight316.26 g/mol
Exact Mass315.05
IUPAC NameN-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCCCCCCBr
InChIInChI=1S/C10H22BrNO3S/c1-15-9-6-10-16(13,14)12-8-5-3-2-4-7-11/h12H,2-10H2,1H3
InChIKeyAXWZMWQKVAXWKJ-UHFFFAOYSA-N
XLogP1.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5-bromopentyl)-2-methoxyethanesulfonamide
CID 107323052
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
N-(3-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290049
N-(5-methoxypentyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 114131476
N-(5-hydroxypentyl)-2-methoxyethanesulfonamide
CID 107319418
N-(5-methoxypentyl)-2-(propylamino)ethanesulfonamide
CID 106092786
N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide
CID 107322937
N'-hydroxy-5-(3-methoxypropylsulfonylamino)pentanimidamide
CID 77036941
N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide
CID 107323115

Frequently Asked Questions

What is the IUPAC name of N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide (CID 107848783) is N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NCCCCCCBr.
What is the InChIKey of N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide?
The InChIKey is AXWZMWQKVAXWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO3S/c1-15-9-6-10-16(13,14)12-8-5-3-2-4-7-11/h12H,2-10H2,1H3.
What are the key properties of N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide?
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide has a molecular weight of 316.26 g/mol, XLogP of 1.90, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 107848783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).