N-[1-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide

C11H22BrNO3S — CID 114293718

IUPACN-[1-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1(CBr)CCCCC1
InChIInChI=1S/C11H22BrNO3S/c1-16-8-5-9-17(14,15)13-11(10-12)6-3-2-4-7-11/h13H,2-10H2,1H3
InChIKeyLIHPJFZQNKVUPS-UHFFFAOYSA-N
MW328.27 g/mol
LogP2.04
Rot. Bonds7

About N-[1-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide

N-[1-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide (PubChem CID 114293718) has the molecular formula C11H22BrNO3S and a molecular weight of 328.27 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide
PubChem CID114293718
Molecular FormulaC11H22BrNO3S
Molecular Weight328.27 g/mol
Exact Mass327.05
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1(CBr)CCCCC1
InChIInChI=1S/C11H22BrNO3S/c1-16-8-5-9-17(14,15)13-11(10-12)6-3-2-4-7-11/h13H,2-10H2,1H3
InChIKeyLIHPJFZQNKVUPS-UHFFFAOYSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide (CID 114293718) is N-[1-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NC1(CBr)CCCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide?
The InChIKey is LIHPJFZQNKVUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO3S/c1-16-8-5-9-17(14,15)13-11(10-12)6-3-2-4-7-11/h13H,2-10H2,1H3.
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide?
N-[1-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide has a molecular weight of 328.27 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 114293718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).