4-(dimethylamino)-2,2-dimethyl-3H-thiopyran-6-thione

C9H15NS2 — CID 12661897

IUPAC4-(dimethylamino)-2,2-dimethyl-3H-thiopyran-6-thione
SMILESCN(C)C1=CC(=S)SC(C)(C)C1
InChIInChI=1S/C9H15NS2/c1-9(2)6-7(10(3)4)5-8(11)12-9/h5H,6H2,1-4H3
InChIKeyCGOBLHXHXKGZJX-UHFFFAOYSA-N
MW201.36 g/mol
LogP2.67
Rot. Bonds1

About 4-(dimethylamino)-2,2-dimethyl-3H-thiopyran-6-thione

4-(dimethylamino)-2,2-dimethyl-3H-thiopyran-6-thione (PubChem CID 12661897) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is 4-(dimethylamino)-2,2-dimethyl-3H-thiopyran-6-thione.

Molecular Properties

Compound Name4-(dimethylamino)-2,2-dimethyl-3H-thiopyran-6-thione
PubChem CID12661897
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC Name4-(dimethylamino)-2,2-dimethyl-3H-thiopyran-6-thione
SMILESCN(C)C1=CC(=S)SC(C)(C)C1
InChIInChI=1S/C9H15NS2/c1-9(2)6-7(10(3)4)5-8(11)12-9/h5H,6H2,1-4H3
InChIKeyCGOBLHXHXKGZJX-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-4-piperidin-1-yl-3H-thiopyran-6-thione
CID 2820351
5,6-Dihydro-6,6-dimethyl-4-(1-pyrrolidinyl)-thiopyrane-2(1h)-thione
CID 3492195
4-Dimethylamino-5,6-dihydro-2h-thiopyran-2-thione
CID 129708562
4-(Dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione
CID 15269806
(2R)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione
CID 15939318
4-(diethylamino)-2,2-dimethyl-3H-thiopyran-6-thione
CID 12661898
(2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione
CID 101141909

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2,2-dimethyl-3H-thiopyran-6-thione?
The IUPAC name of 4-(dimethylamino)-2,2-dimethyl-3H-thiopyran-6-thione (CID 12661897) is 4-(dimethylamino)-2,2-dimethyl-3H-thiopyran-6-thione.
What is the SMILES notation for 4-(dimethylamino)-2,2-dimethyl-3H-thiopyran-6-thione?
The canonical SMILES for 4-(dimethylamino)-2,2-dimethyl-3H-thiopyran-6-thione is CN(C)C1=CC(=S)SC(C)(C)C1.
What is the InChIKey of 4-(dimethylamino)-2,2-dimethyl-3H-thiopyran-6-thione?
The InChIKey is CGOBLHXHXKGZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2/c1-9(2)6-7(10(3)4)5-8(11)12-9/h5H,6H2,1-4H3.
What are the key properties of 4-(dimethylamino)-2,2-dimethyl-3H-thiopyran-6-thione?
4-(dimethylamino)-2,2-dimethyl-3H-thiopyran-6-thione has a molecular weight of 201.36 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,2-dimethyl-3H-thiopyran-6-thione is sourced from PubChem (CID 12661897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).