propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate

C12H23BrN2O4S — CID 114466827

IUPACpropan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C12H23BrN2O4S/c1-10(2)19-11(16)15-20(17,18)14-9-12(8-13)6-4-3-5-7-12/h10,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyDYKOXXAXQNJGGI-UHFFFAOYSA-N
MW371.30 g/mol
LogP2.30
Rot. Bonds6

About propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate

propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate (PubChem CID 114466827) has the molecular formula C12H23BrN2O4S and a molecular weight of 371.30 g/mol. Its IUPAC name is propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
PubChem CID114466827
Molecular FormulaC12H23BrN2O4S
Molecular Weight371.30 g/mol
Exact Mass370.06
IUPAC Namepropan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC1(CBr)CCCCC1
InChIInChI=1S/C12H23BrN2O4S/c1-10(2)19-11(16)15-20(17,18)14-9-12(8-13)6-4-3-5-7-12/h10,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyDYKOXXAXQNJGGI-UHFFFAOYSA-N
XLogP2.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-[(1-hydroxycyclopentyl)methylsulfamoyl]carbamate
CID 114464241
propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate
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propan-2-yl N-[(2-methylpyrrolidin-2-yl)methylsulfamoyl]carbamate
CID 114761689
propan-2-yl N-[(4-ethyl-1-hydroxycyclohexyl)methylsulfamoyl]carbamate
CID 114464254
N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide
CID 103969950
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-methylbutane-1-sulfonamide
CID 113359999
propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
CID 114466894
N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide
CID 103969670
propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
CID 103512534
propan-2-yl N-[(3-ethyl-2-hydroxypentyl)sulfamoyl]carbamate
CID 106288291
propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate
CID 114463540
propan-2-yl N-[(1-methylcyclopentyl)methyl]carbamate
CID 116656090

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate (CID 114466827) is propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NCC1(CBr)CCCCC1.
What is the InChIKey of propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate?
The InChIKey is DYKOXXAXQNJGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN2O4S/c1-10(2)19-11(16)15-20(17,18)14-9-12(8-13)6-4-3-5-7-12/h10,14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate?
propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate has a molecular weight of 371.30 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[1-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate is sourced from PubChem (CID 114466827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).