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

C16H24N2S2 — CID 81297023

IUPAC1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine
SMILESC[C@H]1CC(NC2CCN(C3CC3)CC2)c2ccsc2S1
InChIInChI=1S/C16H24N2S2/c1-11-10-15(14-6-9-19-16(14)20-11)17-12-4-7-18(8-5-12)13-2-3-13/h6,9,11-13,15,17H,2-5,7-8,10H2,1H3/t11-,15?/m0/s1
InChIKeyQLDWCVMIKDKDCF-VPHXOMNUSA-N
MW308.52 g/mol
LogP3.89
Rot. Bonds3

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

1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine (PubChem CID 81297023) has the molecular formula C16H24N2S2 and a molecular weight of 308.52 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine
PubChem CID81297023
Molecular FormulaC16H24N2S2
Molecular Weight308.52 g/mol
Exact Mass308.14
IUPAC Name1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine
SMILESC[C@H]1CC(NC2CCN(C3CC3)CC2)c2ccsc2S1
InChIInChI=1S/C16H24N2S2/c1-11-10-15(14-6-9-19-16(14)20-11)17-12-4-7-18(8-5-12)13-2-3-13/h6,9,11-13,15,17H,2-5,7-8,10H2,1H3/t11-,15?/m0/s1
InChIKeyQLDWCVMIKDKDCF-VPHXOMNUSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine (CID 81297023) is 1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine is C[C@H]1CC(NC2CCN(C3CC3)CC2)c2ccsc2S1.
What is the InChIKey of 1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine?
The InChIKey is QLDWCVMIKDKDCF-VPHXOMNUSA-N. The full InChI is InChI=1S/C16H24N2S2/c1-11-10-15(14-6-9-19-16(14)20-11)17-12-4-7-18(8-5-12)13-2-3-13/h6,9,11-13,15,17H,2-5,7-8,10H2,1H3/t11-,15?/m0/s1.
What are the key properties of 1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine?
1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine has a molecular weight of 308.52 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]piperidin-4-amine is sourced from PubChem (CID 81297023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).