N-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide

C12H24BrNO2S — CID 114293779

IUPACN-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1(CBr)CCCCC1
InChIInChI=1S/C12H24BrNO2S/c1-11(2)6-9-17(15,16)14-12(10-13)7-4-3-5-8-12/h11,14H,3-10H2,1-2H3
InChIKeyKFMCCEFILOTXKI-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.05
Rot. Bonds6

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

N-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide (PubChem CID 114293779) has the molecular formula C12H24BrNO2S and a molecular weight of 326.30 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide
PubChem CID114293779
Molecular FormulaC12H24BrNO2S
Molecular Weight326.30 g/mol
Exact Mass325.07
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)NC1(CBr)CCCCC1
InChIInChI=1S/C12H24BrNO2S/c1-11(2)6-9-17(15,16)14-12(10-13)7-4-3-5-8-12/h11,14H,3-10H2,1-2H3
InChIKeyKFMCCEFILOTXKI-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.05
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)cyclopentyl]-3-methylbutane-1-sulfonamide
CID 63857521
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-methylbutane-1-sulfonamide
CID 113359999
1-(3-methylbutylsulfonylamino)cyclohexane-1-carbothioamide
CID 63856598
N-[1-(bromomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
CID 113271630
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbutane-1-sulfonamide
CID 114170260
N-[1-(bromomethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide
CID 114297143
N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide
CID 63834732
methyl N-[[1-(bromomethyl)cyclobutyl]sulfamoyl]carbamate
CID 114466957
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbutane-1-sulfonamide;hydrochloride
CID 120607511
N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271040
N-[1-(bromomethyl)cyclohexyl]-3-methyl-2-propan-2-ylbutanamide
CID 114282347
N-[1-(aminomethyl)cyclohexyl]butane-1-sulfonamide
CID 28940496

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide (CID 114293779) is N-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide is CC(C)CCS(=O)(=O)NC1(CBr)CCCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide?
The InChIKey is KFMCCEFILOTXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2S/c1-11(2)6-9-17(15,16)14-12(10-13)7-4-3-5-8-12/h11,14H,3-10H2,1-2H3.
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide?
N-[1-(bromomethyl)cyclohexyl]-3-methylbutane-1-sulfonamide has a molecular weight of 326.30 g/mol, XLogP of 3.05, 6 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-methylbutane-1-sulfonamide is sourced from PubChem (CID 114293779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).