N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide

C12H18BrNO2S2 — CID 114295389

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1CBr)c1cccs1
InChIInChI=1S/C12H18BrNO2S2/c13-8-10-4-1-2-5-11(10)9-14-18(15,16)12-6-3-7-17-12/h3,6-7,10-11,14H,1-2,4-5,8-9H2
InChIKeyNXLSKEYEYPIZGN-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.23
Rot. Bonds5

About N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide

N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide (PubChem CID 114295389) has the molecular formula C12H18BrNO2S2 and a molecular weight of 352.32 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
PubChem CID114295389
Molecular FormulaC12H18BrNO2S2
Molecular Weight352.32 g/mol
Exact Mass351.00
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1CBr)c1cccs1
InChIInChI=1S/C12H18BrNO2S2/c13-8-10-4-1-2-5-11(10)9-14-18(15,16)12-6-3-7-17-12/h3,6-7,10-11,14H,1-2,4-5,8-9H2
InChIKeyNXLSKEYEYPIZGN-UHFFFAOYSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]benzenesulfonamide
CID 114295394
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide
CID 113271283
N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 114147059
N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide
CID 66006317
N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylmethyl)thiophene-2-sulfonamide
CID 91354078
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
N-(2-bromo-2-cyclopropylethyl)thiophene-2-sulfonamide
CID 114294509
N-[[2-(bromomethyl)cyclohexyl]methyl]-3,5-dichlorobenzenesulfonamide
CID 114295411
N-(2-aminocycloheptyl)thiophene-2-sulfonamide
CID 63258931
N-[2-(cyclopentylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110345804
N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
CID 131702793
N-[[2-(bromomethyl)cyclopentyl]methyl]-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 114295341

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide (CID 114295389) is N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide is O=S(=O)(NCC1CCCCC1CBr)c1cccs1.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide?
The InChIKey is NXLSKEYEYPIZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S2/c13-8-10-4-1-2-5-11(10)9-14-18(15,16)12-6-3-7-17-12/h3,6-7,10-11,14H,1-2,4-5,8-9H2.
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide has a molecular weight of 352.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclohexyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 114295389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).