N-[[1-(bromomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide

C10H20BrNO4S2 — CID 103969995

IUPACN-[[1-(bromomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C10H20BrNO4S2/c1-17(13,14)9-18(15,16)12-8-10(7-11)5-3-2-4-6-10/h12H,2-9H2,1H3
InChIKeyYKNORXHTJWAFRG-UHFFFAOYSA-N
MW362.31 g/mol
LogP1.25
Rot. Bonds6

About N-[[1-(bromomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide

N-[[1-(bromomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide (PubChem CID 103969995) has the molecular formula C10H20BrNO4S2 and a molecular weight of 362.31 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide
PubChem CID103969995
Molecular FormulaC10H20BrNO4S2
Molecular Weight362.31 g/mol
Exact Mass361.00
IUPAC NameN-[[1-(bromomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C10H20BrNO4S2/c1-17(13,14)9-18(15,16)12-8-10(7-11)5-3-2-4-6-10/h12H,2-9H2,1H3
InChIKeyYKNORXHTJWAFRG-UHFFFAOYSA-N
XLogP1.25
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[[1-(bromomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide (CID 103969995) is N-[[1-(bromomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)NCC1(CBr)CCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide?
The InChIKey is YKNORXHTJWAFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO4S2/c1-17(13,14)9-18(15,16)12-8-10(7-11)5-3-2-4-6-10/h12H,2-9H2,1H3.
What are the key properties of N-[[1-(bromomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide?
N-[[1-(bromomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide has a molecular weight of 362.31 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclohexyl]methyl]-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 103969995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).