N-[1-(bromomethyl)cyclohexyl]propane-1-sulfonamide

C10H20BrNO2S — CID 114293729

IUPACN-[1-(bromomethyl)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(CBr)CCCCC1
InChIInChI=1S/C10H20BrNO2S/c1-2-8-15(13,14)12-10(9-11)6-4-3-5-7-10/h12H,2-9H2,1H3
InChIKeyZGMGMOYLGNJSSQ-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.41
Rot. Bonds5

About N-[1-(bromomethyl)cyclohexyl]propane-1-sulfonamide

N-[1-(bromomethyl)cyclohexyl]propane-1-sulfonamide (PubChem CID 114293729) has the molecular formula C10H20BrNO2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]propane-1-sulfonamide
PubChem CID114293729
Molecular FormulaC10H20BrNO2S
Molecular Weight298.25 g/mol
Exact Mass297.04
IUPAC NameN-[1-(bromomethyl)cyclohexyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(CBr)CCCCC1
InChIInChI=1S/C10H20BrNO2S/c1-2-8-15(13,14)12-10(9-11)6-4-3-5-7-10/h12H,2-9H2,1H3
InChIKeyZGMGMOYLGNJSSQ-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(bromomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83057948
N-[1-(bromomethyl)-3-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058115
N-[1-(bromomethyl)-4-methylcyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058253
1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide
CID 71057835
3-(bromomethyl)-N-tert-butylcyclohexane-1-sulfonamide
CID 145777941
N-(1-methylcyclohexyl)propane-2-sulfonamide
CID 61356546
N-(1-methylcyclohexyl)ethanesulfonamide
CID 61356714
N-(1-methylcyclohexyl)propane-1-sulfonamide
CID 61384311
N-(1,3-dibromo-2-methylpropan-2-yl)cyclohexanesulfonamide
CID 81967057
1-cyclohexyl-N-(1,3-dibromo-2-methylpropan-2-yl)methanesulfonamide
CID 81967058
N-[1-(bromomethyl)cyclohexyl]-1-methylsulfonylmethanesulfonamide
CID 82843392
1-bromo-N-(1-methylcyclohexyl)methanesulfonamide
CID 83086993

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]propane-1-sulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]propane-1-sulfonamide (CID 114293729) is N-[1-(bromomethyl)cyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]propane-1-sulfonamide is CCCS(=O)(=O)NC1(CBr)CCCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]propane-1-sulfonamide?
The InChIKey is ZGMGMOYLGNJSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2S/c1-2-8-15(13,14)12-10(9-11)6-4-3-5-7-10/h12H,2-9H2,1H3.
What are the key properties of N-[1-(bromomethyl)cyclohexyl]propane-1-sulfonamide?
N-[1-(bromomethyl)cyclohexyl]propane-1-sulfonamide has a molecular weight of 298.25 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 114293729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).