(2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione

C10H17NS2 — CID 101141909

IUPAC(2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione
SMILESCC(C)[C@@H]1CC(N(C)C)=CC(=S)S1
InChIInChI=1S/C10H17NS2/c1-7(2)9-5-8(11(3)4)6-10(12)13-9/h6-7,9H,5H2,1-4H3/t9-/m0/s1
InChIKeyDHRFHWQJNQHRKG-VIFPVBQESA-N
MW215.39 g/mol
LogP2.92
Rot. Bonds2

About (2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione

(2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione (PubChem CID 101141909) has the molecular formula C10H17NS2 and a molecular weight of 215.39 g/mol. Its IUPAC name is (2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione.

Molecular Properties

Compound Name(2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione
PubChem CID101141909
Molecular FormulaC10H17NS2
Molecular Weight215.39 g/mol
Exact Mass215.08
IUPAC Name(2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione
SMILESCC(C)[C@@H]1CC(N(C)C)=CC(=S)S1
InChIInChI=1S/C10H17NS2/c1-7(2)9-5-8(11(3)4)6-10(12)13-9/h6-7,9H,5H2,1-4H3/t9-/m0/s1
InChIKeyDHRFHWQJNQHRKG-VIFPVBQESA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.39
LogP ≤ 52.92
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

4-(dimethylamino)-2,2-dimethyl-3H-thiopyran-6-thione
CID 12661897
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
2-Propan-2-yl-4-pyrrolidin-1-yl-2,3-dihydrothiopyran-6-thione
CID 24100372
6-Methyl-7-methylidene-2,3,4,4a-tetrahydrothiopyrano[3,2-c]pyridine-5-thione
CID 143079802
4-(diethylamino)-2,2-dimethyl-3H-thiopyran-6-thione
CID 12661898
4-(2-Methylpropylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione
CID 134121070

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione?
The IUPAC name of (2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione (CID 101141909) is (2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione.
What is the SMILES notation for (2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione?
The canonical SMILES for (2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione is CC(C)[C@@H]1CC(N(C)C)=CC(=S)S1.
What is the InChIKey of (2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione?
The InChIKey is DHRFHWQJNQHRKG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NS2/c1-7(2)9-5-8(11(3)4)6-10(12)13-9/h6-7,9H,5H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione?
(2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione has a molecular weight of 215.39 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(dimethylamino)-2-propan-2-yl-2,3-dihydrothiopyran-6-thione is sourced from PubChem (CID 101141909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).