propan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate

C10H19ClN2O5S — CID 106301452

IUPACpropan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C10H19ClN2O5S/c1-8(2)18-9(14)12-19(15,16)13-10(7-11)3-5-17-6-4-10/h8,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyMQRYZLGDQATVDW-UHFFFAOYSA-N
MW314.79 g/mol
LogP0.74
Rot. Bonds5

About propan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate

propan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate (PubChem CID 106301452) has the molecular formula C10H19ClN2O5S and a molecular weight of 314.79 g/mol. Its IUPAC name is propan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate
PubChem CID106301452
Molecular FormulaC10H19ClN2O5S
Molecular Weight314.79 g/mol
Exact Mass314.07
IUPAC Namepropan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NC1(CCl)CCOCC1
InChIInChI=1S/C10H19ClN2O5S/c1-8(2)18-9(14)12-19(15,16)13-10(7-11)3-5-17-6-4-10/h8,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyMQRYZLGDQATVDW-UHFFFAOYSA-N
XLogP0.74
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(propan-2-yloxycarbonylsulfamoylamino)oxane-4-carboxylic acid
CID 114462947
methyl N-[[1-(chloromethyl)cyclobutyl]sulfamoyl]carbamate
CID 114466954
ethyl N-[[1-(chloromethyl)cyclohexyl]sulfamoyl]carbamate
CID 114466410
propan-2-yl N-[4-(aminomethyl)oxan-4-yl]carbamate
CID 106297630
propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate
CID 114463540
N-[4-(chloromethyl)oxan-4-yl]-3-methylbutanamide
CID 106300477
propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
CID 114466894
propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate
CID 81131007
propan-2-yl N-[(1-hydroxycyclopentyl)methylsulfamoyl]carbamate
CID 114464241
tert-butyl N-[4-(chloromethyl)oxan-4-yl]carbamate
CID 106300353
propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
CID 114466308
propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate
CID 114464611

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate (CID 106301452) is propan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NC1(CCl)CCOCC1.
What is the InChIKey of propan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate?
The InChIKey is MQRYZLGDQATVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O5S/c1-8(2)18-9(14)12-19(15,16)13-10(7-11)3-5-17-6-4-10/h8,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of propan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate?
propan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate has a molecular weight of 314.79 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[4-(chloromethyl)oxan-4-yl]sulfamoyl]carbamate is sourced from PubChem (CID 106301452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).