N-(1-bromopropan-2-yl)cyclohexanesulfonamide

C9H18BrNO2S — CID 114294295

IUPACN-(1-bromopropan-2-yl)cyclohexanesulfonamide
SMILESCC(CBr)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C9H18BrNO2S/c1-8(7-10)11-14(12,13)9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3
InChIKeySWXZYVIKUMDGAU-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.02
Rot. Bonds4

About N-(1-bromopropan-2-yl)cyclohexanesulfonamide

N-(1-bromopropan-2-yl)cyclohexanesulfonamide (PubChem CID 114294295) has the molecular formula C9H18BrNO2S and a molecular weight of 284.22 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)cyclohexanesulfonamide
PubChem CID114294295
Molecular FormulaC9H18BrNO2S
Molecular Weight284.22 g/mol
Exact Mass283.02
IUPAC NameN-(1-bromopropan-2-yl)cyclohexanesulfonamide
SMILESCC(CBr)NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C9H18BrNO2S/c1-8(7-10)11-14(12,13)9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3
InChIKeySWXZYVIKUMDGAU-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 52.02
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-(4-aminobutan-2-yl)cyclohexanesulfonamide
CID 62093489
N-(1-bromobutan-2-yl)cyclohexanesulfonamide
CID 114298361
N-(4-chloropentan-2-yl)cyclopentanesulfonamide
CID 105361812
N-(4-bromobutan-2-yl)cyclopropanesulfonamide
CID 83180222
N-(1-chloro-3-methylbutan-2-yl)cyclohexanesulfonamide
CID 79267554
N-[(2R)-1-piperidin-1-ylpropan-2-yl]cyclopropanesulfonamide
CID 99827272
2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61065990
(2S)-2-(cyclohexylsulfonylamino)-4-methylpentanoic acid
CID 61155518
(2R)-2-(cyclopentylsulfonylamino)propanoic acid
CID 105360780
N-(3-bromobutyl)cyclohexanesulfonamide
CID 114297660
N-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide
CID 105361785
2-(cyclopentylsulfonylamino)-3-methylpentanoic acid
CID 105360683

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)cyclohexanesulfonamide?
The IUPAC name of N-(1-bromopropan-2-yl)cyclohexanesulfonamide (CID 114294295) is N-(1-bromopropan-2-yl)cyclohexanesulfonamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)cyclohexanesulfonamide?
The canonical SMILES for N-(1-bromopropan-2-yl)cyclohexanesulfonamide is CC(CBr)NS(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(1-bromopropan-2-yl)cyclohexanesulfonamide?
The InChIKey is SWXZYVIKUMDGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2S/c1-8(7-10)11-14(12,13)9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3.
What are the key properties of N-(1-bromopropan-2-yl)cyclohexanesulfonamide?
N-(1-bromopropan-2-yl)cyclohexanesulfonamide has a molecular weight of 284.22 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)cyclohexanesulfonamide is sourced from PubChem (CID 114294295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).