ethane;N-[(3Z)-hexa-1,3,5-trien-2-yl]methanesulfonamide

C9H17NO2S — CID 143436219

IUPACethane;N-[(3Z)-hexa-1,3,5-trien-2-yl]methanesulfonamide
SMILESC=C/C=C\C(=C)NS(C)(=O)=O.CC
InChIInChI=1S/C7H11NO2S.C2H6/c1-4-5-6-7(2)8-11(3,9)10;1-2/h4-6,8H,1-2H2,3H3;1-2H3/b6-5-;
InChIKeyQGIDKDSBFVNHIA-YSMBQZINSA-N
MW203.31 g/mol
LogP1.82
Rot. Bonds4

About ethane;N-[(3Z)-hexa-1,3,5-trien-2-yl]methanesulfonamide

ethane;N-[(3Z)-hexa-1,3,5-trien-2-yl]methanesulfonamide (PubChem CID 143436219) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is ethane;N-[(3Z)-hexa-1,3,5-trien-2-yl]methanesulfonamide.

Molecular Properties

Compound Nameethane;N-[(3Z)-hexa-1,3,5-trien-2-yl]methanesulfonamide
PubChem CID143436219
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Nameethane;N-[(3Z)-hexa-1,3,5-trien-2-yl]methanesulfonamide
SMILESC=C/C=C\C(=C)NS(C)(=O)=O.CC
InChIInChI=1S/C7H11NO2S.C2H6/c1-4-5-6-7(2)8-11(3,9)10;1-2/h4-6,8H,1-2H2,3H3;1-2H3/b6-5-;
InChIKeyQGIDKDSBFVNHIA-YSMBQZINSA-N
XLogP1.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
CID 164901853
ethane;1,1,1-trifluoro-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]methanesulfonamide
CID 143371256
N-[(3Z)-5-(5-methylfuran-2-yl)hexa-1,3,5-trien-2-yl]methanesulfonamide
CID 144951413
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
methylsulfonyl (2Z)-penta-2,4-dienoate
CID 89441822
(3Z)-hexa-1,3,5-triene-2-sulfonamide
CID 126541743
(2Z)-N,N-dimethylpenta-2,4-dienamide;ethane
CID 143678790
ethane;1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]phenyl]ethanone
CID 142253837
[(2E,3Z)-2-[2-(methylamino)ethylidene]hexa-3,5-dienyl] methanesulfonate
CID 118592374
4-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylbenzene-1,4-dicarboxamide
CID 155183718
methyl (4Z)-3-methylidenehepta-4,6-dienoate
CID 143290496
ethane;(2Z)-penta-2,4-dienamide
CID 143902044

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3Z)-hexa-1,3,5-trien-2-yl]methanesulfonamide?
The IUPAC name of ethane;N-[(3Z)-hexa-1,3,5-trien-2-yl]methanesulfonamide (CID 143436219) is ethane;N-[(3Z)-hexa-1,3,5-trien-2-yl]methanesulfonamide.
What is the SMILES notation for ethane;N-[(3Z)-hexa-1,3,5-trien-2-yl]methanesulfonamide?
The canonical SMILES for ethane;N-[(3Z)-hexa-1,3,5-trien-2-yl]methanesulfonamide is C=C/C=C\C(=C)NS(C)(=O)=O.CC.
What is the InChIKey of ethane;N-[(3Z)-hexa-1,3,5-trien-2-yl]methanesulfonamide?
The InChIKey is QGIDKDSBFVNHIA-YSMBQZINSA-N. The full InChI is InChI=1S/C7H11NO2S.C2H6/c1-4-5-6-7(2)8-11(3,9)10;1-2/h4-6,8H,1-2H2,3H3;1-2H3/b6-5-;.
What are the key properties of ethane;N-[(3Z)-hexa-1,3,5-trien-2-yl]methanesulfonamide?
ethane;N-[(3Z)-hexa-1,3,5-trien-2-yl]methanesulfonamide has a molecular weight of 203.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3Z)-hexa-1,3,5-trien-2-yl]methanesulfonamide is sourced from PubChem (CID 143436219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).