ethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene

C18H32N2O2S — CID 144546435

IUPACethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene
SMILESC=C/C=C\C(=C1/CC=CC=N1)S(=O)(=O)NC.C=CC.CC.CC
InChIInChI=1S/C11H14N2O2S.C3H6.2C2H6/c1-3-4-8-11(16(14,15)12-2)10-7-5-6-9-13-10;1-3-2;2*1-2/h3-6,8-9,12H,1,7H2,2H3;3H,1H2,2H3;2*1-2H3/b8-4-,11-10-;;;
InChIKeyMWOAMZGPCOUHOE-HGGAXWOASA-N
MW340.53 g/mol
LogP4.76
Rot. Bonds4

About ethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene

ethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene (PubChem CID 144546435) has the molecular formula C18H32N2O2S and a molecular weight of 340.53 g/mol. Its IUPAC name is ethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene.

Molecular Properties

Compound Nameethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene
PubChem CID144546435
Molecular FormulaC18H32N2O2S
Molecular Weight340.53 g/mol
Exact Mass340.22
IUPAC Nameethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene
SMILESC=C/C=C\C(=C1/CC=CC=N1)S(=O)(=O)NC.C=CC.CC.CC
InChIInChI=1S/C11H14N2O2S.C3H6.2C2H6/c1-3-4-8-11(16(14,15)12-2)10-7-5-6-9-13-10;1-3-2;2*1-2/h3-6,8-9,12H,1,7H2,2H3;3H,1H2,2H3;2*1-2H3/b8-4-,11-10-;;;
InChIKeyMWOAMZGPCOUHOE-HGGAXWOASA-N
XLogP4.76
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide
CID 123907841
ethane;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide
CID 143283531
(2Z,4Z)-N,6-dimethyl-5-(propylideneamino)octa-2,4-diene-4-sulfonamide;ethane
CID 143377797
(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide
CID 144546436

Frequently Asked Questions

What is the IUPAC name of ethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene?
The IUPAC name of ethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene (CID 144546435) is ethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene.
What is the SMILES notation for ethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene?
The canonical SMILES for ethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene is C=C/C=C\C(=C1/CC=CC=N1)S(=O)(=O)NC.C=CC.CC.CC.
What is the InChIKey of ethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene?
The InChIKey is MWOAMZGPCOUHOE-HGGAXWOASA-N. The full InChI is InChI=1S/C11H14N2O2S.C3H6.2C2H6/c1-3-4-8-11(16(14,15)12-2)10-7-5-6-9-13-10;1-3-2;2*1-2/h3-6,8-9,12H,1,7H2,2H3;3H,1H2,2H3;2*1-2H3/b8-4-,11-10-;;;.
What are the key properties of ethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene?
ethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene has a molecular weight of 340.53 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene is sourced from PubChem (CID 144546435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).