ethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide

C24H43N3O2S — CID 144546454

IUPACethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide
SMILESC=C/C=C1/NC(=O)N(C)C/C1=C/C.CC.CC.CCCC1=C(S(=O)NC)C=CCC1
InChIInChI=1S/C10H14N2O.C10H17NOS.2C2H6/c1-4-6-9-8(5-2)7-12(3)10(13)11-9;1-3-6-9-7-4-5-8-10(9)13(12)11-2;2*1-2/h4-6H,1,7H2,2-3H3,(H,11,13);5,8,11H,3-4,6-7H2,1-2H3;2*1-2H3/b8-5-,9-6+;;;
InChIKeyQZJMZOQOSAHLBX-KPIBTXGLSA-N
MW437.69 g/mol
LogP5.98
Rot. Bonds5

About ethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide

ethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide (PubChem CID 144546454) has the molecular formula C24H43N3O2S and a molecular weight of 437.69 g/mol. Its IUPAC name is ethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide.

Molecular Properties

Compound Nameethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide
PubChem CID144546454
Molecular FormulaC24H43N3O2S
Molecular Weight437.69 g/mol
Exact Mass437.31
IUPAC Nameethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide
SMILESC=C/C=C1/NC(=O)N(C)C/C1=C/C.CC.CC.CCCC1=C(S(=O)NC)C=CCC1
InChIInChI=1S/C10H14N2O.C10H17NOS.2C2H6/c1-4-6-9-8(5-2)7-12(3)10(13)11-9;1-3-6-9-7-4-5-8-10(9)13(12)11-2;2*1-2/h4-6H,1,7H2,2-3H3,(H,11,13);5,8,11H,3-4,6-7H2,1-2H3;2*1-2H3/b8-5-,9-6+;;;
InChIKeyQZJMZOQOSAHLBX-KPIBTXGLSA-N
XLogP5.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.69
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze ethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide with MolForge

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Related Compounds

(4E,5Z)-5-(aminomethylidene)-4-ethylidene-1-methyl-1,3-diazinan-2-one;ethane
CID 143228257
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CID 171627448
ethane;(5Z)-4-ethenylimino-1-methyl-5-prop-2-enylidene-1,3-diazepan-2-one
CID 143577269
(4Z)-3-methylidene-4-prop-2-enylidenecyclohexene
CID 142354681
(3E,4Z)-3-ethylidene-1-methyl-4-prop-2-enylidenepiperidine
CID 89468901
2,3-dibutyl-3-hydroxy-4,5-dihydroisoindol-1-one
CID 175418760
ethane;(4Z,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-3-propyl-1H-pyrrole
CID 145484469
2-[(3E,4E)-4-ethylidene-2-oxo-3-prop-2-enylidenepyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 170049159
ethane;1-methyl-2,3-dihydropyridin-6-one
CID 91157166
ethane;(3E,4Z)-4-ethylidene-3-prop-2-enylidene-1-(2-pyrrolidin-1-ylethyl)piperidin-2-one
CID 143778310
3-(2-fluorocyclohexa-1,5-dien-1-yl)-N-[(2R)-1-[(4E)-3-methylidene-2,5-dioxo-4-prop-2-enylidenepyrrolidin-1-yl]propan-2-yl]propanamide
CID 145077816
(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidin-2-one;propane
CID 167479014

Frequently Asked Questions

What is the IUPAC name of ethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide?
The IUPAC name of ethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide (CID 144546454) is ethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide.
What is the SMILES notation for ethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide?
The canonical SMILES for ethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide is C=C/C=C1/NC(=O)N(C)C/C1=C/C.CC.CC.CCCC1=C(S(=O)NC)C=CCC1.
What is the InChIKey of ethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide?
The InChIKey is QZJMZOQOSAHLBX-KPIBTXGLSA-N. The full InChI is InChI=1S/C10H14N2O.C10H17NOS.2C2H6/c1-4-6-9-8(5-2)7-12(3)10(13)11-9;1-3-6-9-7-4-5-8-10(9)13(12)11-2;2*1-2/h4-6H,1,7H2,2-3H3,(H,11,13);5,8,11H,3-4,6-7H2,1-2H3;2*1-2H3/b8-5-,9-6+;;;.
What are the key properties of ethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide?
ethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide has a molecular weight of 437.69 g/mol, XLogP of 5.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,5Z)-5-ethylidene-1-methyl-4-prop-2-enylidene-1,3-diazinan-2-one;N-methyl-2-propylcyclohexa-1,5-diene-1-sulfinamide is sourced from PubChem (CID 144546454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).