N-(3-bromopropyl)-1-cyclohexylmethanesulfonamide

C10H20BrNO2S — CID 61453741

IUPACN-(3-bromopropyl)-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NCCCBr
InChIInChI=1S/C10H20BrNO2S/c11-7-4-8-12-15(13,14)9-10-5-2-1-3-6-10/h10,12H,1-9H2
InChIKeyCIXFSSIOCLMOJT-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.27
Rot. Bonds6

About N-(3-bromopropyl)-1-cyclohexylmethanesulfonamide

N-(3-bromopropyl)-1-cyclohexylmethanesulfonamide (PubChem CID 61453741) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-(3-bromopropyl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-1-cyclohexylmethanesulfonamide
PubChem CID61453741
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-(3-bromopropyl)-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)NCCCBr
InChIInChI=1S/C10H20BrNO2S/c11-7-4-8-12-15(13,14)9-10-5-2-1-3-6-10/h10,12H,1-9H2
InChIKeyCIXFSSIOCLMOJT-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(3-bromopropyl)-1-cyclohexylmethanesulfonamide (CID 61453741) is N-(3-bromopropyl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(3-bromopropyl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(3-bromopropyl)-1-cyclohexylmethanesulfonamide is O=S(=O)(CC1CCCCC1)NCCCBr.
What is the InChIKey of N-(3-bromopropyl)-1-cyclohexylmethanesulfonamide?
The InChIKey is CIXFSSIOCLMOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c11-7-4-8-12-15(13,14)9-10-5-2-1-3-6-10/h10,12H,1-9H2.
What are the key properties of N-(3-bromopropyl)-1-cyclohexylmethanesulfonamide?
N-(3-bromopropyl)-1-cyclohexylmethanesulfonamide has a molecular weight of 298.25 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 61453741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).