(E)-3-cyclohexyl-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide

C15H28N2O3S — CID 75407542

IUPAC(E)-3-cyclohexyl-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)/C=C/C1CCCCC1
InChIInChI=1S/C15H28N2O3S/c1-3-21(19,20)17(2)13-7-12-16-15(18)11-10-14-8-5-4-6-9-14/h10-11,14H,3-9,12-13H2,1-2H3,(H,16,18)/b11-10+
InChIKeyUJFMRNJLSOTGLN-ZHACJKMWSA-N
MW316.47 g/mol
LogP1.91
Rot. Bonds8

About (E)-3-cyclohexyl-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide

(E)-3-cyclohexyl-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide (PubChem CID 75407542) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is (E)-3-cyclohexyl-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclohexyl-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide
PubChem CID75407542
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name(E)-3-cyclohexyl-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide
SMILESCCS(=O)(=O)N(C)CCCNC(=O)/C=C/C1CCCCC1
InChIInChI=1S/C15H28N2O3S/c1-3-21(19,20)17(2)13-7-12-16-15(18)11-10-14-8-5-4-6-9-14/h10-11,14H,3-9,12-13H2,1-2H3,(H,16,18)/b11-10+
InChIKeyUJFMRNJLSOTGLN-ZHACJKMWSA-N
XLogP1.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine
CID 110958537
N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
CID 119728947
1-cyclohexyl-3-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 110958536
(E)-3-cyclobutyl-N-ethylprop-2-enamide
CID 131232424
N-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-3-carboxamide;hydrochloride
CID 119292349
1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea
CID 108911800
(2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride
CID 119292329
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119728915
methyl 1-[N-[3-[ethylsulfonyl(methyl)amino]propyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111252677
[4-[3-[[(E)-3-cyclohexylprop-2-enoyl]amino]propylcarbamoyl]phenyl] ethyl carbonate
CID 108932430
(E)-1-cyclohexylhex-1-en-3-one
CID 14869895
(E)-3-cyclobutyl-N-prop-2-ynylprop-2-enamide
CID 131233588

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexyl-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide?
The IUPAC name of (E)-3-cyclohexyl-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide (CID 75407542) is (E)-3-cyclohexyl-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-cyclohexyl-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide?
The canonical SMILES for (E)-3-cyclohexyl-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide is CCS(=O)(=O)N(C)CCCNC(=O)/C=C/C1CCCCC1.
What is the InChIKey of (E)-3-cyclohexyl-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide?
The InChIKey is UJFMRNJLSOTGLN-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-3-21(19,20)17(2)13-7-12-16-15(18)11-10-14-8-5-4-6-9-14/h10-11,14H,3-9,12-13H2,1-2H3,(H,16,18)/b11-10+.
What are the key properties of (E)-3-cyclohexyl-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide?
(E)-3-cyclohexyl-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide has a molecular weight of 316.47 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexyl-N-[3-[ethylsulfonyl(methyl)amino]propyl]prop-2-enamide is sourced from PubChem (CID 75407542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).