4-(dimethylamino)-2-propan-2-yl-2,3-dihydro-1H-pyridine-6-thione

C10H18N2S — CID 5202267

IUPAC4-(dimethylamino)-2-propan-2-yl-2,3-dihydro-1H-pyridine-6-thione
SMILESCC(C)C1CC(N(C)C)=CC(=S)N1
InChIInChI=1S/C10H18N2S/c1-7(2)9-5-8(12(3)4)6-10(13)11-9/h6-7,9H,5H2,1-4H3,(H,11,13)
InChIKeySKVYVWSWFSPXJB-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.78
Rot. Bonds2

About 4-(dimethylamino)-2-propan-2-yl-2,3-dihydro-1H-pyridine-6-thione

4-(dimethylamino)-2-propan-2-yl-2,3-dihydro-1H-pyridine-6-thione (PubChem CID 5202267) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 4-(dimethylamino)-2-propan-2-yl-2,3-dihydro-1H-pyridine-6-thione.

Molecular Properties

Compound Name4-(dimethylamino)-2-propan-2-yl-2,3-dihydro-1H-pyridine-6-thione
PubChem CID5202267
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name4-(dimethylamino)-2-propan-2-yl-2,3-dihydro-1H-pyridine-6-thione
SMILESCC(C)C1CC(N(C)C)=CC(=S)N1
InChIInChI=1S/C10H18N2S/c1-7(2)9-5-8(12(3)4)6-10(13)11-9/h6-7,9H,5H2,1-4H3,(H,11,13)
InChIKeySKVYVWSWFSPXJB-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-propan-2-yl-2,3-dihydro-1H-pyridine-6-thione?
The IUPAC name of 4-(dimethylamino)-2-propan-2-yl-2,3-dihydro-1H-pyridine-6-thione (CID 5202267) is 4-(dimethylamino)-2-propan-2-yl-2,3-dihydro-1H-pyridine-6-thione.
What is the SMILES notation for 4-(dimethylamino)-2-propan-2-yl-2,3-dihydro-1H-pyridine-6-thione?
The canonical SMILES for 4-(dimethylamino)-2-propan-2-yl-2,3-dihydro-1H-pyridine-6-thione is CC(C)C1CC(N(C)C)=CC(=S)N1.
What is the InChIKey of 4-(dimethylamino)-2-propan-2-yl-2,3-dihydro-1H-pyridine-6-thione?
The InChIKey is SKVYVWSWFSPXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-7(2)9-5-8(12(3)4)6-10(13)11-9/h6-7,9H,5H2,1-4H3,(H,11,13).
What are the key properties of 4-(dimethylamino)-2-propan-2-yl-2,3-dihydro-1H-pyridine-6-thione?
4-(dimethylamino)-2-propan-2-yl-2,3-dihydro-1H-pyridine-6-thione has a molecular weight of 198.33 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-propan-2-yl-2,3-dihydro-1H-pyridine-6-thione is sourced from PubChem (CID 5202267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).