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

C11H14N2O2S — CID 143283532

IUPACN-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide
SMILESC=C(C)/C(NS(C)(=O)=O)=c1/ncccc1=C
InChIInChI=1S/C11H14N2O2S/c1-8(2)10(13-16(4,14)15)11-9(3)6-5-7-12-11/h5-7,13H,1,3H2,2,4H3/b11-10-
InChIKeyBUROLIFNGWKDJQ-KHPPLWFESA-N
MW238.31 g/mol
LogP-0.27
Rot. Bonds3

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

N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide (PubChem CID 143283532) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide
PubChem CID143283532
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC NameN-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide
SMILESC=C(C)/C(NS(C)(=O)=O)=c1/ncccc1=C
InChIInChI=1S/C11H14N2O2S/c1-8(2)10(13-16(4,14)15)11-9(3)6-5-7-12-11/h5-7,13H,1,3H2,2,4H3/b11-10-
InChIKeyBUROLIFNGWKDJQ-KHPPLWFESA-N
XLogP-0.27
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6H-1-benzazepine-7-sulfonamide
CID 87410667
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;N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide
CID 143283531
6,7-Dihydroquinoline-6-sulfonamide
CID 145096953
(Z,1Z)-2-ethyl-1-(3-methylidene-2-pyridinylidene)but-2-ene-1-sulfonyl chloride
CID 167298111
(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 N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide?
The IUPAC name of N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide (CID 143283532) is N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide.
What is the SMILES notation for N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide?
The canonical SMILES for 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.
What is the InChIKey of N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide?
The InChIKey is BUROLIFNGWKDJQ-KHPPLWFESA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-8(2)10(13-16(4,14)15)11-9(3)6-5-7-12-11/h5-7,13H,1,3H2,2,4H3/b11-10-.
What are the key properties of N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide?
N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide has a molecular weight of 238.31 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-2-methyl-1-(3-methylidene-2-pyridinylidene)prop-2-enyl]methanesulfonamide is sourced from PubChem (CID 143283532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).