ethane;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide

C15H26N2O2S — CID 143283531

IUPACethane;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide
SMILESC=C(C)/C(NS(C)(=O)=O)=c1/ncccc1=C.CC.CC
InChIInChI=1S/C11H14N2O2S.2C2H6/c1-8(2)10(13-16(4,14)15)11-9(3)6-5-7-12-11;2*1-2/h5-7,13H,1,3H2,2,4H3;2*1-2H3/b11-10-;;
InChIKeyZTGOPKXCRKQUFS-PQBRBDCOSA-N
MW298.45 g/mol
LogP1.78
Rot. Bonds3

About ethane;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide

ethane;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide (PubChem CID 143283531) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is ethane;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide.

Molecular Properties

Compound Nameethane;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide
PubChem CID143283531
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Nameethane;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide
SMILESC=C(C)/C(NS(C)(=O)=O)=c1/ncccc1=C.CC.CC
InChIInChI=1S/C11H14N2O2S.2C2H6/c1-8(2)10(13-16(4,14)15)11-9(3)6-5-7-12-11;2*1-2/h5-7,13H,1,3H2,2,4H3;2*1-2H3/b11-10-;;
InChIKeyZTGOPKXCRKQUFS-PQBRBDCOSA-N
XLogP1.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3H-pyridin-2-ylidene)hexa-2,4-diene-1-sulfonamide
CID 123907841
(1Z)-1-[(3Z)-3-(2-methylprop-2-enylidene)-2-pyridinylidene]ethanesulfonyl iodide
CID 129043365
ethane;(1Z,2Z)-N-methyl-1-(3H-pyridin-2-ylidene)penta-2,4-diene-1-sulfonamide;prop-1-ene
CID 144546435
N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide
CID 143283532
(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;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide?
The IUPAC name of ethane;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide (CID 143283531) is ethane;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide.
What is the SMILES notation for ethane;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide?
The canonical SMILES for ethane;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide is C=C(C)/C(NS(C)(=O)=O)=c1/ncccc1=C.CC.CC.
What is the InChIKey of ethane;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide?
The InChIKey is ZTGOPKXCRKQUFS-PQBRBDCOSA-N. The full InChI is InChI=1S/C11H14N2O2S.2C2H6/c1-8(2)10(13-16(4,14)15)11-9(3)6-5-7-12-11;2*1-2/h5-7,13H,1,3H2,2,4H3;2*1-2H3/b11-10-;;.
What are the key properties of ethane;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide?
ethane;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide is sourced from PubChem (CID 143283531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).