tert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate

C12H24N2O4S — CID 167351432

IUPACtert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate
SMILESC=CC[C@H](C)NS(=O)(=O)N(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4S/c1-7-9-10(3)13-19(16,17)14(8-2)11(15)18-12(4,5)6/h7,10,13H,1,8-9H2,2-6H3/t10-/m0/s1
InChIKeyKNLUCZYQWQAZKL-JTQLQIEISA-N
MW292.40 g/mol
LogP2.04
Rot. Bonds6

About tert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate

tert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate (PubChem CID 167351432) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate
PubChem CID167351432
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Nametert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate
SMILESC=CC[C@H](C)NS(=O)(=O)N(CC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4S/c1-7-9-10(3)13-19(16,17)14(8-2)11(15)18-12(4,5)6/h7,10,13H,1,8-9H2,2-6H3/t10-/m0/s1
InChIKeyKNLUCZYQWQAZKL-JTQLQIEISA-N
XLogP2.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate
CID 130367367
tert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate
CID 101437485
2-[(2-methylpropan-2-yl)oxycarbonyl-[(2S)-pent-4-en-2-yl]amino]acetic acid
CID 134594143
tert-butyl N-butan-2-yl-N-prop-2-enylcarbamate
CID 10375927
tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate
CID 103390957
tert-butyl N-ethenyl-N-propan-2-ylcarbamate
CID 88918328
tert-butyl N-methyl-N-(1-oxopent-4-en-2-yl)carbamate
CID 72647061
tert-butyl N-hydroxy-N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate
CID 162406608
tert-butyl N-hepta-1,6-dien-4-yl-N-(2-trimethylsilylethylsulfonyl)carbamate
CID 10045024
tert-butyl 2-aminopent-4-enoate;hydrochloride
CID 139035813
tert-butyl N-(tert-butylsulfamoyl)-N-(3-chlorobutyl)carbamate
CID 154708735
1-[(2-methylpropan-2-yl)oxy]-1-oxopent-4-ene-2-sulfonic acid
CID 87208641

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate (CID 167351432) is tert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate is C=CC[C@H](C)NS(=O)(=O)N(CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate?
The InChIKey is KNLUCZYQWQAZKL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-7-9-10(3)13-19(16,17)14(8-2)11(15)18-12(4,5)6/h7,10,13H,1,8-9H2,2-6H3/t10-/m0/s1.
What are the key properties of tert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate?
tert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate has a molecular weight of 292.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate is sourced from PubChem (CID 167351432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).