N-[2-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide

C11H22BrNO3S — CID 106367667

IUPACN-[2-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1CCCCC1CBr
InChIInChI=1S/C11H22BrNO3S/c1-16-7-4-8-17(14,15)13-11-6-3-2-5-10(11)9-12/h10-11,13H,2-9H2,1H3
InChIKeyPSYVHGKRRKGLDC-UHFFFAOYSA-N
MW328.27 g/mol
LogP1.90
Rot. Bonds7

About N-[2-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide

N-[2-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide (PubChem CID 106367667) has the molecular formula C11H22BrNO3S and a molecular weight of 328.27 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide
PubChem CID106367667
Molecular FormulaC11H22BrNO3S
Molecular Weight328.27 g/mol
Exact Mass327.05
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1CCCCC1CBr
InChIInChI=1S/C11H22BrNO3S/c1-16-7-4-8-17(14,15)13-11-6-3-2-5-10(11)9-12/h10-11,13H,2-9H2,1H3
InChIKeyPSYVHGKRRKGLDC-UHFFFAOYSA-N
XLogP1.90
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 ≤ 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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Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide (CID 106367667) is N-[2-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NC1CCCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide?
The InChIKey is PSYVHGKRRKGLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO3S/c1-16-7-4-8-17(14,15)13-11-6-3-2-5-10(11)9-12/h10-11,13H,2-9H2,1H3.
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide?
N-[2-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide has a molecular weight of 328.27 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 106367667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).