1-methyl-4-(propan-2-ylideneamino)-3,6-dihydro-2H-pyridine-5-thiol

C9H16N2S — CID 142197728

IUPAC1-methyl-4-(propan-2-ylideneamino)-3,6-dihydro-2H-pyridine-5-thiol
SMILESCC(C)=NC1=C(S)CN(C)CC1
InChIInChI=1S/C9H16N2S/c1-7(2)10-8-4-5-11(3)6-9(8)12/h12H,4-6H2,1-3H3
InChIKeyIJGJJQCJWQSSRZ-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.94
Rot. Bonds1

About 1-methyl-4-(propan-2-ylideneamino)-3,6-dihydro-2H-pyridine-5-thiol

1-methyl-4-(propan-2-ylideneamino)-3,6-dihydro-2H-pyridine-5-thiol (PubChem CID 142197728) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 1-methyl-4-(propan-2-ylideneamino)-3,6-dihydro-2H-pyridine-5-thiol.

Molecular Properties

Compound Name1-methyl-4-(propan-2-ylideneamino)-3,6-dihydro-2H-pyridine-5-thiol
PubChem CID142197728
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name1-methyl-4-(propan-2-ylideneamino)-3,6-dihydro-2H-pyridine-5-thiol
SMILESCC(C)=NC1=C(S)CN(C)CC1
InChIInChI=1S/C9H16N2S/c1-7(2)10-8-4-5-11(3)6-9(8)12/h12H,4-6H2,1-3H3
InChIKeyIJGJJQCJWQSSRZ-UHFFFAOYSA-N
XLogP1.94
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-imine
CID 145046784
4-(ethylideneamino)-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-thiol
CID 170767454

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(propan-2-ylideneamino)-3,6-dihydro-2H-pyridine-5-thiol?
The IUPAC name of 1-methyl-4-(propan-2-ylideneamino)-3,6-dihydro-2H-pyridine-5-thiol (CID 142197728) is 1-methyl-4-(propan-2-ylideneamino)-3,6-dihydro-2H-pyridine-5-thiol.
What is the SMILES notation for 1-methyl-4-(propan-2-ylideneamino)-3,6-dihydro-2H-pyridine-5-thiol?
The canonical SMILES for 1-methyl-4-(propan-2-ylideneamino)-3,6-dihydro-2H-pyridine-5-thiol is CC(C)=NC1=C(S)CN(C)CC1.
What is the InChIKey of 1-methyl-4-(propan-2-ylideneamino)-3,6-dihydro-2H-pyridine-5-thiol?
The InChIKey is IJGJJQCJWQSSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-7(2)10-8-4-5-11(3)6-9(8)12/h12H,4-6H2,1-3H3.
What are the key properties of 1-methyl-4-(propan-2-ylideneamino)-3,6-dihydro-2H-pyridine-5-thiol?
1-methyl-4-(propan-2-ylideneamino)-3,6-dihydro-2H-pyridine-5-thiol has a molecular weight of 184.31 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(propan-2-ylideneamino)-3,6-dihydro-2H-pyridine-5-thiol is sourced from PubChem (CID 142197728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).