tert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate

C11H22N2O4S — CID 130367367

IUPACtert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate
SMILESC=CCCN(C(=O)OC(C)(C)C)S(=O)(=O)NCC
InChIInChI=1S/C11H22N2O4S/c1-6-8-9-13(18(15,16)12-7-2)10(14)17-11(3,4)5/h6,12H,1,7-9H2,2-5H3
InChIKeyDPEOTGXFYLHNFD-UHFFFAOYSA-N
MW278.37 g/mol
LogP1.65
Rot. Bonds6

About tert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate

tert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate (PubChem CID 130367367) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is tert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate
PubChem CID130367367
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Nametert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate
SMILESC=CCCN(C(=O)OC(C)(C)C)S(=O)(=O)NCC
InChIInChI=1S/C11H22N2O4S/c1-6-8-9-13(18(15,16)12-7-2)10(14)17-11(3,4)5/h6,12H,1,7-9H2,2-5H3
InChIKeyDPEOTGXFYLHNFD-UHFFFAOYSA-N
XLogP1.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 51.65
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-ethyl-N-[[(2S)-pent-4-en-2-yl]sulfamoyl]carbamate
CID 167351432
tert-butyl N-methyl-N-pent-4-enylcarbamate
CID 20756745
tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine
CID 142306508
tert-butyl N-but-3-enyl-N-(2-oxobut-3-enyl)carbamate
CID 118222042
tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate
CID 10355020
tert-butyl N-[[tert-butyl(dimethyl)silyl]oxysulfamoyl]-N-ethylcarbamate
CID 101437485
tert-butyl N-(tert-butylsulfamoyl)-N-(3-chloro-3-methylbutyl)carbamate
CID 154708739
tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate
CID 46201500
tert-butyl N-(tert-butylsulfamoyl)-N-(3-chlorobutyl)carbamate
CID 154708735
tert-butyl N-butyl-N-sulfamoylcarbamate
CID 101365553
tert-butyl N-(2-chloroethylsulfamoyl)-N-(cyanomethyl)carbamate
CID 101088085
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate
CID 10728810

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate?
The IUPAC name of tert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate (CID 130367367) is tert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate.
What is the SMILES notation for tert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate?
The canonical SMILES for tert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate is C=CCCN(C(=O)OC(C)(C)C)S(=O)(=O)NCC.
What is the InChIKey of tert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate?
The InChIKey is DPEOTGXFYLHNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-6-8-9-13(18(15,16)12-7-2)10(14)17-11(3,4)5/h6,12H,1,7-9H2,2-5H3.
What are the key properties of tert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate?
tert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate has a molecular weight of 278.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-but-3-enyl-N-(ethylsulfamoyl)carbamate is sourced from PubChem (CID 130367367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).