4-Diethylaminothiopyranthion

C9H15NS2 — CID 129648583

IUPACN,N-diethyl-1-sulfanylidene-2H-thiopyran-4-amine
SMILESCCN(CC)C1=CCS(=S)C=C1
InChIInChI=1S/C9H15NS2/c1-3-10(4-2)9-5-7-12(11)8-6-9/h5-7H,3-4,8H2,1-2H3
InChIKeyWQKPRMUSVVHCBO-UHFFFAOYSA-N
MW201.40 g/mol
LogP3.70
Rot. Bonds3

About 4-Diethylaminothiopyranthion

4-Diethylaminothiopyranthion (PubChem CID 129648583) has the molecular formula C9H15NS2 and a molecular weight of 201.40 g/mol. Its IUPAC name is N,N-diethyl-1-sulfanylidene-2H-thiopyran-4-amine.

Molecular Properties

Compound Name4-Diethylaminothiopyranthion
PubChem CID129648583
Molecular FormulaC9H15NS2
Molecular Weight201.40 g/mol
Exact Mass201.06
IUPAC NameN,N-diethyl-1-sulfanylidene-2H-thiopyran-4-amine
SMILESCCN(CC)C1=CCS(=S)C=C1
InChIInChI=1S/C9H15NS2/c1-3-10(4-2)9-5-7-12(11)8-6-9/h5-7H,3-4,8H2,1-2H3
InChIKeyWQKPRMUSVVHCBO-UHFFFAOYSA-N
XLogP3.70
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity227

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-Diethylaminothiopyranthion with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Dimethylamino)thiopyran-2-thione
CID 338861
4-Diethylaminothiopyran
CID 129646622
6-Methyl-1-(2-methylsulfanylethyl)-1,2-dihydropyridin-1-ium
CID 59893090
6-methyl-1-(2-methylsulfanylethyl)-2H-pyridine
CID 59893091
4-methyl-3,6-dihydro-2H-1,4-benzothiazin-6-ide;propane;yttrium
CID 60004040
4-methyl-3,7-dihydro-2H-1,4-benzothiazin-7-ide;propane;yttrium
CID 60004042
2-methylsulfanyl-1-[2-(2-methylsulfanyl-2H-pyridin-1-yl)prop-2-enyl]-2H-pyridine
CID 117649952
3-[(Z)-prop-1-enyl]sulfanyl-N,N-dipropylbuta-1,3-dien-2-amine
CID 118198827
N-ethyl-N-methyl-2-methylsulfanylpenta-1,3-dien-3-amine
CID 123346496
N,N-diethyl-2H-thiopyran-2-amine
CID 123924880
(2E)-N-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine
CID 126584258
(3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine
CID 139382058

Frequently Asked Questions

What is the IUPAC name of 4-Diethylaminothiopyranthion?
The IUPAC name of 4-Diethylaminothiopyranthion (CID 129648583) is N,N-diethyl-1-sulfanylidene-2H-thiopyran-4-amine.
What is the SMILES notation for 4-Diethylaminothiopyranthion?
The canonical SMILES for 4-Diethylaminothiopyranthion is CCN(CC)C1=CCS(=S)C=C1.
What is the InChIKey of 4-Diethylaminothiopyranthion?
The InChIKey is WQKPRMUSVVHCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2/c1-3-10(4-2)9-5-7-12(11)8-6-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 4-Diethylaminothiopyranthion?
4-Diethylaminothiopyranthion has a molecular weight of 201.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Diethylaminothiopyranthion is sourced from PubChem (CID 129648583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).