tert-butyl N-propan-2-ylsulfonylcarbamate

C8H17NO4S — CID 18686385

IUPACtert-butyl N-propan-2-ylsulfonylcarbamate
SMILESCC(C)S(=O)(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO4S/c1-6(2)14(11,12)9-7(10)13-8(3,4)5/h6H,1-5H3,(H,9,10)
InChIKeyZRIVPYNVZHZTAC-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.25
Rot. Bonds2

About tert-butyl N-propan-2-ylsulfonylcarbamate

tert-butyl N-propan-2-ylsulfonylcarbamate (PubChem CID 18686385) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is tert-butyl N-propan-2-ylsulfonylcarbamate.

Molecular Properties

Compound Nametert-butyl N-propan-2-ylsulfonylcarbamate
PubChem CID18686385
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Nametert-butyl N-propan-2-ylsulfonylcarbamate
SMILESCC(C)S(=O)(=O)NC(=O)OC(C)(C)C
InChIInChI=1S/C8H17NO4S/c1-6(2)14(11,12)9-7(10)13-8(3,4)5/h6H,1-5H3,(H,9,10)
InChIKeyZRIVPYNVZHZTAC-UHFFFAOYSA-N
XLogP1.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen
CID 176960460
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]propanoate
CID 15014351
tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate
CID 107237362
tert-butyl N-[(2R)-1-chlorosulfonylpropan-2-yl]carbamate
CID 130666310
methyl (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylsulfamoylamino]pentanoate
CID 53315637
tert-butyl N-[(2S)-1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-1-oxopropan-2-yl]carbamate
CID 101469112
2,3-dimethylbutan-2-yl N-sulfamoylcarbamate
CID 122596778
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-(2-sulfanylethylsulfamoyl)carbamate
CID 134306753
tert-butyl N-(2,2,2-trifluoroethylsulfamoyl)carbamate
CID 155097174
[(2R,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-3-yl] methanesulfonate
CID 131881761
tert-butyl N-(bromoamino)carbamate
CID 91402746

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-propan-2-ylsulfonylcarbamate?
The IUPAC name of tert-butyl N-propan-2-ylsulfonylcarbamate (CID 18686385) is tert-butyl N-propan-2-ylsulfonylcarbamate.
What is the SMILES notation for tert-butyl N-propan-2-ylsulfonylcarbamate?
The canonical SMILES for tert-butyl N-propan-2-ylsulfonylcarbamate is CC(C)S(=O)(=O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-propan-2-ylsulfonylcarbamate?
The InChIKey is ZRIVPYNVZHZTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-6(2)14(11,12)9-7(10)13-8(3,4)5/h6H,1-5H3,(H,9,10).
What are the key properties of tert-butyl N-propan-2-ylsulfonylcarbamate?
tert-butyl N-propan-2-ylsulfonylcarbamate has a molecular weight of 223.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-propan-2-ylsulfonylcarbamate is sourced from PubChem (CID 18686385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).