1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane

C14H25BrO2S — CID 65006593

IUPAC1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane
SMILESO=S(=O)(CC1(CBr)CCCCC1)C1CCCCC1
InChIInChI=1S/C14H25BrO2S/c15-11-14(9-5-2-6-10-14)12-18(16,17)13-7-3-1-4-8-13/h13H,1-12H2
InChIKeyYHLKSEDSJVDBKG-UHFFFAOYSA-N
MW337.32 g/mol
LogP4.08
Rot. Bonds4

About 1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane

1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane (PubChem CID 65006593) has the molecular formula C14H25BrO2S and a molecular weight of 337.32 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane
PubChem CID65006593
Molecular FormulaC14H25BrO2S
Molecular Weight337.32 g/mol
Exact Mass336.08
IUPAC Name1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane
SMILESO=S(=O)(CC1(CBr)CCCCC1)C1CCCCC1
InChIInChI=1S/C14H25BrO2S/c15-11-14(9-5-2-6-10-14)12-18(16,17)13-7-3-1-4-8-13/h13H,1-12H2
InChIKeyYHLKSEDSJVDBKG-UHFFFAOYSA-N
XLogP4.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane
CID 65001521
2-[1-(cyclopentylsulfonylmethyl)cyclopropyl]ethanamine
CID 65493261
methyl 2-[1-(cyclobutylsulfonylmethyl)cyclopropyl]acetate
CID 107776814
1,1-bis(bromomethyl)cyclopentane
CID 12651156
4-bromobutylsulfonylcyclohexane
CID 60872498
1-(bromomethyl)-1-(butylsulfonylmethyl)cyclopentane
CID 65001157
cyclohexylsulfonylmethanethiol
CID 117036891
[1-(bromomethyl)cyclopentyl]methylsulfanylcyclohexane
CID 65001405
[1-(bromomethyl)cyclopentyl]methoxycycloheptane
CID 65001141
1-[[1-(bromomethyl)cyclohexyl]methylsulfonyl]-2-fluorobenzene
CID 65007029
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylcyclohexanamine
CID 65010270
N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide
CID 103969950

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane?
The IUPAC name of 1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane (CID 65006593) is 1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane.
What is the SMILES notation for 1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane?
The canonical SMILES for 1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane is O=S(=O)(CC1(CBr)CCCCC1)C1CCCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane?
The InChIKey is YHLKSEDSJVDBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrO2S/c15-11-14(9-5-2-6-10-14)12-18(16,17)13-7-3-1-4-8-13/h13H,1-12H2.
What are the key properties of 1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane?
1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane has a molecular weight of 337.32 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(cyclohexylsulfonylmethyl)cyclohexane is sourced from PubChem (CID 65006593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).