(6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

C14H21NO2S2 — CID 107386141

IUPAC(6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC[C@H]1CC(NCC2COC(C)(C)O2)c2ccsc2S1
InChIInChI=1S/C14H21NO2S2/c1-9-6-12(11-4-5-18-13(11)19-9)15-7-10-8-16-14(2,3)17-10/h4-5,9-10,12,15H,6-8H2,1-3H3/t9-,10?,12?/m0/s1
InChIKeyCAYCJCVYQVEPFM-BMQDGWLCSA-N
MW299.46 g/mol
LogP3.41
Rot. Bonds3

About (6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

(6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 107386141) has the molecular formula C14H21NO2S2 and a molecular weight of 299.46 g/mol. Its IUPAC name is (6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID107386141
Molecular FormulaC14H21NO2S2
Molecular Weight299.46 g/mol
Exact Mass299.10
IUPAC Name(6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC[C@H]1CC(NCC2COC(C)(C)O2)c2ccsc2S1
InChIInChI=1S/C14H21NO2S2/c1-9-6-12(11-4-5-18-13(11)19-9)15-7-10-8-16-14(2,3)17-10/h4-5,9-10,12,15H,6-8H2,1-3H3/t9-,10?,12?/m0/s1
InChIKeyCAYCJCVYQVEPFM-BMQDGWLCSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine with MolForge

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Related Compounds

(6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103788629
(2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol
CID 103906920
(6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81337819
3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-1-ol
CID 81301803
(6S)-6-methyl-N-pent-4-ynyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103786897
(6S)-N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81332614
(6S)-6-methyl-N-(2-phenylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81301381
2-methyl-3-[[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]methyl]oxolan-3-ol
CID 107270713
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107386387
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-methyl-3,4-dihydroquinolin-2-one
CID 107386431
(6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 113348939
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 107386192

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 107386141) is (6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is C[C@H]1CC(NCC2COC(C)(C)O2)c2ccsc2S1.
What is the InChIKey of (6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is CAYCJCVYQVEPFM-BMQDGWLCSA-N. The full InChI is InChI=1S/C14H21NO2S2/c1-9-6-12(11-4-5-18-13(11)19-9)15-7-10-8-16-14(2,3)17-10/h4-5,9-10,12,15H,6-8H2,1-3H3/t9-,10?,12?/m0/s1.
What are the key properties of (6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 299.46 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 107386141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).