N-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine

C11H14N2S — CID 144853606

IUPACN-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine
SMILESC=C/C=C\C(SNC)=C1/CC=CC=N1
InChIInChI=1S/C11H14N2S/c1-3-4-8-11(14-12-2)10-7-5-6-9-13-10/h3-6,8-9,12H,1,7H2,2H3/b8-4-,11-10-
InChIKeyRJXVWFBQVRTQMT-HBPBTQBCSA-N
MW206.31 g/mol
LogP2.84
Rot. Bonds4

About N-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine

N-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine (PubChem CID 144853606) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine.

Molecular Properties

Compound NameN-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine
PubChem CID144853606
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC NameN-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine
SMILESC=C/C=C\C(SNC)=C1/CC=CC=N1
InChIInChI=1S/C11H14N2S/c1-3-4-8-11(14-12-2)10-7-5-6-9-13-10/h3-6,8-9,12H,1,7H2,2H3/b8-4-,11-10-
InChIKeyRJXVWFBQVRTQMT-HBPBTQBCSA-N
XLogP2.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine?
The IUPAC name of N-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine (CID 144853606) is N-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine.
What is the SMILES notation for N-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine?
The canonical SMILES for N-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine is C=C/C=C\C(SNC)=C1/CC=CC=N1.
What is the InChIKey of N-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine?
The InChIKey is RJXVWFBQVRTQMT-HBPBTQBCSA-N. The full InChI is InChI=1S/C11H14N2S/c1-3-4-8-11(14-12-2)10-7-5-6-9-13-10/h3-6,8-9,12H,1,7H2,2H3/b8-4-,11-10-.
What are the key properties of N-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine?
N-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine has a molecular weight of 206.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,2Z)-1-(3H-pyridin-2-ylidene)penta-2,4-dienyl]sulfanylmethanamine is sourced from PubChem (CID 144853606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).