N-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide

C13H22N2O3S — CID 134339064

IUPACN-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide
SMILESCC(C)NS(=O)(=O)/C=C/CNC(=O)C1=CCCCC1
InChIInChI=1S/C13H22N2O3S/c1-11(2)15-19(17,18)10-6-9-14-13(16)12-7-4-3-5-8-12/h6-7,10-11,15H,3-5,8-9H2,1-2H3,(H,14,16)/b10-6+
InChIKeyWLXDHNQZZKMYFL-UXBLZVDNSA-N
MW286.40 g/mol
LogP1.44
Rot. Bonds6

About N-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide

N-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide (PubChem CID 134339064) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide
PubChem CID134339064
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide
SMILESCC(C)NS(=O)(=O)/C=C/CNC(=O)C1=CCCCC1
InChIInChI=1S/C13H22N2O3S/c1-11(2)15-19(17,18)10-6-9-14-13(16)12-7-4-3-5-8-12/h6-7,10-11,15H,3-5,8-9H2,1-2H3,(H,14,16)/b10-6+
InChIKeyWLXDHNQZZKMYFL-UXBLZVDNSA-N
XLogP1.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 75524585
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N-(1-methylcyclopropyl)cyclohexene-1-carboxamide
CID 130625889
N-propan-2-ylcyclohexene-1-sulfonamide
CID 155332302
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide
CID 130668502
N-[1-[2-fluoro-3-(2-methylpropanoyl)cyclopent-2-en-1-yl]propan-2-yl]cyclohexene-1-carboxamide
CID 166882235
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
N,N-dimethylcyclohexene-1-carboxamide
CID 11019067
ethyl cycloundecene-1-carboxylate
CID 154164177
2-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655132
1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 106655273

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide?
The IUPAC name of N-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide (CID 134339064) is N-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide.
What is the SMILES notation for N-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide?
The canonical SMILES for N-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide is CC(C)NS(=O)(=O)/C=C/CNC(=O)C1=CCCCC1.
What is the InChIKey of N-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide?
The InChIKey is WLXDHNQZZKMYFL-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-11(2)15-19(17,18)10-6-9-14-13(16)12-7-4-3-5-8-12/h6-7,10-11,15H,3-5,8-9H2,1-2H3,(H,14,16)/b10-6+.
What are the key properties of N-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide?
N-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(propan-2-ylsulfamoyl)prop-2-enyl]cyclohexene-1-carboxamide is sourced from PubChem (CID 134339064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).