tert-butyl N-[(E,2S)-4-(propan-2-ylsulfamoyl)but-3-en-2-yl]carbamate

C12H24N2O4S — CID 10661334

IUPACtert-butyl N-[(E,2S)-4-(propan-2-ylsulfamoyl)but-3-en-2-yl]carbamate
SMILESCC(C)NS(=O)(=O)/C=C/[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4S/c1-9(2)14-19(16,17)8-7-10(3)13-11(15)18-12(4,5)6/h7-10,14H,1-6H3,(H,13,15)/b8-7+/t10-/m0/s1
InChIKeyJRGLENSNRJDIMU-JARNTUPDSA-N
MW292.40 g/mol
LogP1.74
Rot. Bonds5

About tert-butyl N-[(E,2S)-4-(propan-2-ylsulfamoyl)but-3-en-2-yl]carbamate

tert-butyl N-[(E,2S)-4-(propan-2-ylsulfamoyl)but-3-en-2-yl]carbamate (PubChem CID 10661334) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is tert-butyl N-[(E,2S)-4-(propan-2-ylsulfamoyl)but-3-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E,2S)-4-(propan-2-ylsulfamoyl)but-3-en-2-yl]carbamate
PubChem CID10661334
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Nametert-butyl N-[(E,2S)-4-(propan-2-ylsulfamoyl)but-3-en-2-yl]carbamate
SMILESCC(C)NS(=O)(=O)/C=C/[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4S/c1-9(2)14-19(16,17)8-7-10(3)13-11(15)18-12(4,5)6/h7-10,14H,1-6H3,(H,13,15)/b8-7+/t10-/m0/s1
InChIKeyJRGLENSNRJDIMU-JARNTUPDSA-N
XLogP1.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 10857231
tert-butyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate
CID 10955879
tert-butyl N-[(1Z,2S)-1-hydroxyiminopropan-2-yl]carbamate
CID 45091861
ethyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 10243501
tert-butyl N-(8-cyanooct-3-en-2-yl)carbamate
CID 123583183
tert-butyl N-(propan-2-ylsulfamoyl)carbamate;molecular hydrogen
CID 176960460
tert-butyl N-[(E,3S)-1-(benzenesulfonyl)-4-methylpent-1-en-3-yl]carbamate
CID 70063311
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(E)-2-methylhex-4-en-3-yl]carbamate
CID 15936517
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
CID 23292073
tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate
CID 87884669

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E,2S)-4-(propan-2-ylsulfamoyl)but-3-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(E,2S)-4-(propan-2-ylsulfamoyl)but-3-en-2-yl]carbamate (CID 10661334) is tert-butyl N-[(E,2S)-4-(propan-2-ylsulfamoyl)but-3-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(E,2S)-4-(propan-2-ylsulfamoyl)but-3-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(E,2S)-4-(propan-2-ylsulfamoyl)but-3-en-2-yl]carbamate is CC(C)NS(=O)(=O)/C=C/[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E,2S)-4-(propan-2-ylsulfamoyl)but-3-en-2-yl]carbamate?
The InChIKey is JRGLENSNRJDIMU-JARNTUPDSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-9(2)14-19(16,17)8-7-10(3)13-11(15)18-12(4,5)6/h7-10,14H,1-6H3,(H,13,15)/b8-7+/t10-/m0/s1.
What are the key properties of tert-butyl N-[(E,2S)-4-(propan-2-ylsulfamoyl)but-3-en-2-yl]carbamate?
tert-butyl N-[(E,2S)-4-(propan-2-ylsulfamoyl)but-3-en-2-yl]carbamate has a molecular weight of 292.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E,2S)-4-(propan-2-ylsulfamoyl)but-3-en-2-yl]carbamate is sourced from PubChem (CID 10661334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).