4-(ethylideneamino)-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-thiol

C10H18N2S — CID 170767454

IUPAC4-(ethylideneamino)-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-thiol
SMILESC/C=N/C1=C(S)CN(C(C)C)CC1
InChIInChI=1S/C10H18N2S/c1-4-11-9-5-6-12(8(2)3)7-10(9)13/h4,8,13H,5-7H2,1-3H3/b11-4+
InChIKeyQSADONULBQNMOY-NYYWCZLTSA-N
MW198.33 g/mol
LogP2.33
Rot. Bonds2

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

4-(ethylideneamino)-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-thiol (PubChem CID 170767454) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 4-(ethylideneamino)-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-thiol.

Molecular Properties

Compound Name4-(ethylideneamino)-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-thiol
PubChem CID170767454
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name4-(ethylideneamino)-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-thiol
SMILESC/C=N/C1=C(S)CN(C(C)C)CC1
InChIInChI=1S/C10H18N2S/c1-4-11-9-5-6-12(8(2)3)7-10(9)13/h4,8,13H,5-7H2,1-3H3/b11-4+
InChIKeyQSADONULBQNMOY-NYYWCZLTSA-N
XLogP2.33
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.33
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

1-methyl-4-(propan-2-ylideneamino)-3,6-dihydro-2H-pyridine-5-thiol
CID 142197728
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine
CID 170634493

Frequently Asked Questions

What is the IUPAC name of 4-(ethylideneamino)-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-thiol?
The IUPAC name of 4-(ethylideneamino)-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-thiol (CID 170767454) is 4-(ethylideneamino)-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-thiol.
What is the SMILES notation for 4-(ethylideneamino)-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-thiol?
The canonical SMILES for 4-(ethylideneamino)-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-thiol is C/C=N/C1=C(S)CN(C(C)C)CC1.
What is the InChIKey of 4-(ethylideneamino)-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-thiol?
The InChIKey is QSADONULBQNMOY-NYYWCZLTSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-11-9-5-6-12(8(2)3)7-10(9)13/h4,8,13H,5-7H2,1-3H3/b11-4+.
What are the key properties of 4-(ethylideneamino)-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-thiol?
4-(ethylideneamino)-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-thiol has a molecular weight of 198.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylideneamino)-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-thiol is sourced from PubChem (CID 170767454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).