propan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate

C10H19ClN2O4S — CID 114632202

IUPACpropan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC1CC(Cl)C1(C)C
InChIInChI=1S/C10H19ClN2O4S/c1-6(2)17-9(14)13-18(15,16)12-8-5-7(11)10(8,3)4/h6-8,12H,5H2,1-4H3,(H,13,14)
InChIKeyMUIQGUJSYJBYRY-UHFFFAOYSA-N
MW298.79 g/mol
LogP1.36
Rot. Bonds4

About propan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate

propan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate (PubChem CID 114632202) has the molecular formula C10H19ClN2O4S and a molecular weight of 298.79 g/mol. Its IUPAC name is propan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate
PubChem CID114632202
Molecular FormulaC10H19ClN2O4S
Molecular Weight298.79 g/mol
Exact Mass298.08
IUPAC Namepropan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC1CC(Cl)C1(C)C
InChIInChI=1S/C10H19ClN2O4S/c1-6(2)17-9(14)13-18(15,16)12-8-5-7(11)10(8,3)4/h6-8,12H,5H2,1-4H3,(H,13,14)
InChIKeyMUIQGUJSYJBYRY-UHFFFAOYSA-N
XLogP1.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 51.36
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

methyl N-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]carbamate
CID 114631654
propan-2-yl N-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)carbamate
CID 114464683
propan-2-yl N-[(2-aminocycloheptyl)sulfamoyl]carbamate
CID 114464755
propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
CID 114466894
propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate
CID 114179792
propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
CID 114466308
propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084
propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate
CID 107389934
propan-2-yl N-[(1-hydroxycyclopentyl)methylsulfamoyl]carbamate
CID 114464241
N-(3-chloro-2,2-dimethylcyclobutyl)butane-1-sulfonamide
CID 114632207
propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate
CID 114467593
propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate
CID 114779182

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate (CID 114632202) is propan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NC1CC(Cl)C1(C)C.
What is the InChIKey of propan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate?
The InChIKey is MUIQGUJSYJBYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O4S/c1-6(2)17-9(14)13-18(15,16)12-8-5-7(11)10(8,3)4/h6-8,12H,5H2,1-4H3,(H,13,14).
What are the key properties of propan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate?
propan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate has a molecular weight of 298.79 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(3-chloro-2,2-dimethylcyclobutyl)sulfamoyl]carbamate is sourced from PubChem (CID 114632202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).