N-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide

C11H20BrNO2S — CID 114293912

IUPACN-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide
SMILESCC1CCCC(CBr)(NS(=O)(=O)C2CC2)C1
InChIInChI=1S/C11H20BrNO2S/c1-9-3-2-6-11(7-9,8-12)13-16(14,15)10-4-5-10/h9-10,13H,2-8H2,1H3
InChIKeyRRUUCDCNOBJYGP-UHFFFAOYSA-N
MW310.26 g/mol
LogP2.41
Rot. Bonds4

About N-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide

N-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide (PubChem CID 114293912) has the molecular formula C11H20BrNO2S and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide
PubChem CID114293912
Molecular FormulaC11H20BrNO2S
Molecular Weight310.26 g/mol
Exact Mass309.04
IUPAC NameN-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide
SMILESCC1CCCC(CBr)(NS(=O)(=O)C2CC2)C1
InChIInChI=1S/C11H20BrNO2S/c1-9-3-2-6-11(7-9,8-12)13-16(14,15)10-4-5-10/h9-10,13H,2-8H2,1H3
InChIKeyRRUUCDCNOBJYGP-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
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-(hydroxymethyl)-3-methylcyclohexyl]cyclopropanesulfonamide
CID 64552221
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methoxyethanesulfonamide
CID 114293958
N-[1-(bromomethyl)-3-methylcyclohexyl]-3,4-difluorobenzenesulfonamide
CID 114293927
N-[1-(aminomethyl)-3-methylcyclohexyl]-1,1-dioxothiane-4-sulfonamide
CID 63765461
N-[1-(bromomethyl)-3-methylcyclohexyl]-1H-imidazole-5-sulfonamide
CID 114293943
N-[1-(bromomethyl)-3-methylcyclohexyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114293939
N-[1-(bromomethyl)-3-methylcyclohexyl]-1-ethylimidazole-4-sulfonamide
CID 114293922
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105400688
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methylsulfonylpropanamide
CID 104522425
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide
CID 55231623
N-[1-(bromomethyl)-3-methylcyclohexyl]-1-methylcyclohexane-1-carboxamide
CID 106829038
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527403

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide?
The IUPAC name of N-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide (CID 114293912) is N-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide is CC1CCCC(CBr)(NS(=O)(=O)C2CC2)C1.
What is the InChIKey of N-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide?
The InChIKey is RRUUCDCNOBJYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2S/c1-9-3-2-6-11(7-9,8-12)13-16(14,15)10-4-5-10/h9-10,13H,2-8H2,1H3.
What are the key properties of N-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide?
N-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide has a molecular weight of 310.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide is sourced from PubChem (CID 114293912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).