(Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide

C14H26N2O4S — CID 94799434

IUPAC(Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H26N2O4S/c1-5-6-11(2)14(17)15-7-8-21(18,19)16-9-12(3)20-13(4)10-16/h6,12-13H,5,7-10H2,1-4H3,(H,15,17)/b11-6-/t12-,13-/m0/s1
InChIKeyLIOGAVCBSWZRKP-ISGXEFFDSA-N
MW318.44 g/mol
LogP0.90
Rot. Bonds6

About (Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide

(Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide (PubChem CID 94799434) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is (Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide
PubChem CID94799434
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name(Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H26N2O4S/c1-5-6-11(2)14(17)15-7-8-21(18,19)16-9-12(3)20-13(4)10-16/h6,12-13H,5,7-10H2,1-4H3,(H,15,17)/b11-6-/t12-,13-/m0/s1
InChIKeyLIOGAVCBSWZRKP-ISGXEFFDSA-N
XLogP0.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide with MolForge

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Related Compounds

1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227662
tert-butyl N-[2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethylamino]-2-oxoethyl]carbamate
CID 52502622
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(3,5-dimethylphenyl)urea
CID 55696542
tert-butyl N-[2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethylamino]-2-oxoethyl]carbamate
CID 47082029
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N',N'-dipropylpentanediamide
CID 56540877
2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
CID 51941813
2-(cyclopropylmethyl)-1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-ethylguanidine
CID 111868470
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide
CID 51728926
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110977531
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 55674939
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]acetamide
CID 98718909
1-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-ethylbutyl)-2-methylguanidine;hydroiodide
CID 111890428

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide (CID 94799434) is (Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NCCS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of (Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide?
The InChIKey is LIOGAVCBSWZRKP-ISGXEFFDSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-5-6-11(2)14(17)15-7-8-21(18,19)16-9-12(3)20-13(4)10-16/h6,12-13H,5,7-10H2,1-4H3,(H,15,17)/b11-6-/t12-,13-/m0/s1.
What are the key properties of (Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide?
(Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide has a molecular weight of 318.44 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-methylpent-2-enamide is sourced from PubChem (CID 94799434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).