(Z)-3-ethenyl-6,6-dimethyl-5-methylidene-N-methylsulfonylhept-3-enamide;molecular hydrogen

C13H23NO3S — CID 176700823

IUPAC(Z)-3-ethenyl-6,6-dimethyl-5-methylidene-N-methylsulfonylhept-3-enamide;molecular hydrogen
SMILESC=C/C(=C\C(=C)C(C)(C)C)CC(=O)NS(C)(=O)=O.[H][H]
InChIInChI=1S/C13H21NO3S.H2/c1-7-11(8-10(2)13(3,4)5)9-12(15)14-18(6,16)17;/h7-8H,1-2,9H2,3-6H3,(H,14,15);1H/b11-8+;
InChIKeyFGCXTJFCPOHUPP-YGCVIUNWSA-N
MW273.40 g/mol
LogP2.41
Rot. Bonds5

About (Z)-3-ethenyl-6,6-dimethyl-5-methylidene-N-methylsulfonylhept-3-enamide;molecular hydrogen

(Z)-3-ethenyl-6,6-dimethyl-5-methylidene-N-methylsulfonylhept-3-enamide;molecular hydrogen (PubChem CID 176700823) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is (Z)-3-ethenyl-6,6-dimethyl-5-methylidene-N-methylsulfonylhept-3-enamide;molecular hydrogen.

Molecular Properties

Compound Name(Z)-3-ethenyl-6,6-dimethyl-5-methylidene-N-methylsulfonylhept-3-enamide;molecular hydrogen
PubChem CID176700823
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name(Z)-3-ethenyl-6,6-dimethyl-5-methylidene-N-methylsulfonylhept-3-enamide;molecular hydrogen
SMILESC=C/C(=C\C(=C)C(C)(C)C)CC(=O)NS(C)(=O)=O.[H][H]
InChIInChI=1S/C13H21NO3S.H2/c1-7-11(8-10(2)13(3,4)5)9-12(15)14-18(6,16)17;/h7-8H,1-2,9H2,3-6H3,(H,14,15);1H/b11-8+;
InChIKeyFGCXTJFCPOHUPP-YGCVIUNWSA-N
XLogP2.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-methylsulfonylacetamide
CID 58895987
3,6,6-trimethyl-5-methylidenehept-3-en-2-one
CID 123799744
5-amino-N-methylsulfonylpentanamide
CID 103287281
3-bromo-N-methylsulfonylpropanamide
CID 22045909
3-amino-N-methylsulfonylpropanamide
CID 14028235
methanesulfonic acid;prop-2-enoic acid
CID 87706639
2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-N-methylsulfonylacetamide
CID 163668861
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;1-methylsulfonylethene
CID 157315544
2,2-dimethyl-3-oxopent-4-ene-1-sulfonic acid
CID 18324556
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;dihydrate
CID 141386572
alumane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 173293073
ethane;N-[(3Z)-hexa-1,3,5-trien-2-yl]methanesulfonamide
CID 143436219

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethenyl-6,6-dimethyl-5-methylidene-N-methylsulfonylhept-3-enamide;molecular hydrogen?
The IUPAC name of (Z)-3-ethenyl-6,6-dimethyl-5-methylidene-N-methylsulfonylhept-3-enamide;molecular hydrogen (CID 176700823) is (Z)-3-ethenyl-6,6-dimethyl-5-methylidene-N-methylsulfonylhept-3-enamide;molecular hydrogen.
What is the SMILES notation for (Z)-3-ethenyl-6,6-dimethyl-5-methylidene-N-methylsulfonylhept-3-enamide;molecular hydrogen?
The canonical SMILES for (Z)-3-ethenyl-6,6-dimethyl-5-methylidene-N-methylsulfonylhept-3-enamide;molecular hydrogen is C=C/C(=C\C(=C)C(C)(C)C)CC(=O)NS(C)(=O)=O.[H][H].
What is the InChIKey of (Z)-3-ethenyl-6,6-dimethyl-5-methylidene-N-methylsulfonylhept-3-enamide;molecular hydrogen?
The InChIKey is FGCXTJFCPOHUPP-YGCVIUNWSA-N. The full InChI is InChI=1S/C13H21NO3S.H2/c1-7-11(8-10(2)13(3,4)5)9-12(15)14-18(6,16)17;/h7-8H,1-2,9H2,3-6H3,(H,14,15);1H/b11-8+;.
What are the key properties of (Z)-3-ethenyl-6,6-dimethyl-5-methylidene-N-methylsulfonylhept-3-enamide;molecular hydrogen?
(Z)-3-ethenyl-6,6-dimethyl-5-methylidene-N-methylsulfonylhept-3-enamide;molecular hydrogen has a molecular weight of 273.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethenyl-6,6-dimethyl-5-methylidene-N-methylsulfonylhept-3-enamide;molecular hydrogen is sourced from PubChem (CID 176700823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).