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

C14H19N3S2 — CID 81297092

IUPAC(6S)-N-(1-imidazol-1-ylpropan-2-yl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCC(Cn1ccnc1)NC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C14H19N3S2/c1-10(8-17-5-4-15-9-17)16-13-7-11(2)19-14-12(13)3-6-18-14/h3-6,9-11,13,16H,7-8H2,1-2H3/t10?,11-,13?/m0/s1
InChIKeyQOHQBVPVTJDWSB-AKJDGMEZSA-N
MW293.46 g/mol
LogP3.55
Rot. Bonds4

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

(6S)-N-(1-imidazol-1-ylpropan-2-yl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 81297092) has the molecular formula C14H19N3S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is (6S)-N-(1-imidazol-1-ylpropan-2-yl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-N-(1-imidazol-1-ylpropan-2-yl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID81297092
Molecular FormulaC14H19N3S2
Molecular Weight293.46 g/mol
Exact Mass293.10
IUPAC Name(6S)-N-(1-imidazol-1-ylpropan-2-yl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCC(Cn1ccnc1)NC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C14H19N3S2/c1-10(8-17-5-4-15-9-17)16-13-7-11(2)19-14-12(13)3-6-18-14/h3-6,9-11,13,16H,7-8H2,1-2H3/t10?,11-,13?/m0/s1
InChIKeyQOHQBVPVTJDWSB-AKJDGMEZSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propyl]pyrrolidin-2-one
CID 81329176
N-(1-imidazol-1-ylpropan-2-yl)-3-methylcyclobutan-1-amine
CID 104859674
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 43749760
N-(1-imidazol-1-ylpropan-2-yl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 61479477
(2S)-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]butan-1-ol
CID 104980858
N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine
CID 43435651
N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79927780
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43791978
4-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 103910363
2-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690014
3-(1-imidazol-1-ylpropan-2-ylamino)azepan-2-one
CID 54958570
(6S)-6-methyl-N-[1-(oxolan-3-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 113262143

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(1-imidazol-1-ylpropan-2-yl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-N-(1-imidazol-1-ylpropan-2-yl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 81297092) is (6S)-N-(1-imidazol-1-ylpropan-2-yl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-N-(1-imidazol-1-ylpropan-2-yl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-N-(1-imidazol-1-ylpropan-2-yl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is CC(Cn1ccnc1)NC1C[C@H](C)Sc2sccc21.
What is the InChIKey of (6S)-N-(1-imidazol-1-ylpropan-2-yl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is QOHQBVPVTJDWSB-AKJDGMEZSA-N. The full InChI is InChI=1S/C14H19N3S2/c1-10(8-17-5-4-15-9-17)16-13-7-11(2)19-14-12(13)3-6-18-14/h3-6,9-11,13,16H,7-8H2,1-2H3/t10?,11-,13?/m0/s1.
What are the key properties of (6S)-N-(1-imidazol-1-ylpropan-2-yl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-N-(1-imidazol-1-ylpropan-2-yl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 293.46 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(1-imidazol-1-ylpropan-2-yl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 81297092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).