propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate

C10H20N2O6S — CID 107389934

IUPACpropan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C10H20N2O6S/c1-7(2)17-9(13)12-19(14,15)11-5-8-6-16-10(3,4)18-8/h7-8,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyYCMYFWSYEMFMGR-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.11
Rot. Bonds5

About propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate

propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate (PubChem CID 107389934) has the molecular formula C10H20N2O6S and a molecular weight of 296.35 g/mol. Its IUPAC name is propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate
PubChem CID107389934
Molecular FormulaC10H20N2O6S
Molecular Weight296.35 g/mol
Exact Mass296.10
IUPAC Namepropan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC1COC(C)(C)O1
InChIInChI=1S/C10H20N2O6S/c1-7(2)17-9(13)12-19(14,15)11-5-8-6-16-10(3,4)18-8/h7-8,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyYCMYFWSYEMFMGR-UHFFFAOYSA-N
XLogP0.11
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azepane-1-sulfonamide
CID 107389899
propan-2-yl N-[[2-(hydroxymethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114464267
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide
CID 107389947
propan-2-yl N-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylcarbamate
CID 114779182
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylsulfonylethanesulfonamide
CID 107389863
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide
CID 19426282
propan-2-yl N-[(1-hydroxycyclopentyl)methylsulfamoyl]carbamate
CID 114464241
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 23541087
2-bromo-N,N'-bis[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]propanediamide
CID 22369352
propan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate
CID 114463267
3-amino-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]butanamide
CID 107389487
3-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpropanamide
CID 107389066

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate (CID 107389934) is propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NCC1COC(C)(C)O1.
What is the InChIKey of propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate?
The InChIKey is YCMYFWSYEMFMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O6S/c1-7(2)17-9(13)12-19(14,15)11-5-8-6-16-10(3,4)18-8/h7-8,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate?
propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate has a molecular weight of 296.35 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfamoyl]carbamate is sourced from PubChem (CID 107389934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).