N-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide

C13H26BrNO2S — CID 103521778

IUPACN-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC1(CBr)CCCCC1
InChIInChI=1S/C13H26BrNO2S/c1-12(2,3)9-10-18(16,17)15-13(11-14)7-5-4-6-8-13/h15H,4-11H2,1-3H3
InChIKeyMMKSOBPTLIZZAM-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.44
Rot. Bonds5

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

N-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103521778) has the molecular formula C13H26BrNO2S and a molecular weight of 340.33 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
PubChem CID103521778
Molecular FormulaC13H26BrNO2S
Molecular Weight340.33 g/mol
Exact Mass339.09
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(=O)(=O)NC1(CBr)CCCCC1
InChIInChI=1S/C13H26BrNO2S/c1-12(2,3)9-10-18(16,17)15-13(11-14)7-5-4-6-8-13/h15H,4-11H2,1-3H3
InChIKeyMMKSOBPTLIZZAM-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.44
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

1-Propanesulfonamide, 3-bromo-N-(1,1,3,3-tetramethylbutyl)-
CID 99367
N-[1-(bromomethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83057948
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
1-cyclohexyl-N-(1,3-dibromo-2-methylpropan-2-yl)methanesulfonamide
CID 81967058
1-bromo-N-(1-methylcyclohexyl)methanesulfonamide
CID 83086993
N-[1-(bromomethyl)-3-methylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521780
N-[3-(bromomethyl)pentan-3-yl]-3,3-dimethylbutane-1-sulfonamide
CID 103521781
N-[1-(bromomethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521796
N-[[1-(bromomethyl)cyclohexyl]methyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521816

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide (CID 103521778) is N-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(=O)(=O)NC1(CBr)CCCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is MMKSOBPTLIZZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO2S/c1-12(2,3)9-10-18(16,17)15-13(11-14)7-5-4-6-8-13/h15H,4-11H2,1-3H3.
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide?
N-[1-(bromomethyl)cyclohexyl]-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 340.33 g/mol, XLogP of 3.44, 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]-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103521778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).