N,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide

C15H24N2OS2 — CID 81322736

IUPACN,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide
SMILESCCN(CC)C(=O)CCNC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C15H24N2OS2/c1-4-17(5-2)14(18)6-8-16-13-10-11(3)20-15-12(13)7-9-19-15/h7,9,11,13,16H,4-6,8,10H2,1-3H3/t11-,13?/m0/s1
InChIKeyVFVBRFHJNGUSNA-AMGKYWFPSA-N
MW312.50 g/mol
LogP3.52
Rot. Bonds6

About N,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide

N,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide (PubChem CID 81322736) has the molecular formula C15H24N2OS2 and a molecular weight of 312.50 g/mol. Its IUPAC name is N,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide
PubChem CID81322736
Molecular FormulaC15H24N2OS2
Molecular Weight312.50 g/mol
Exact Mass312.13
IUPAC NameN,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide
SMILESCCN(CC)C(=O)CCNC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C15H24N2OS2/c1-4-17(5-2)14(18)6-8-16-13-10-11(3)20-15-12(13)7-9-19-15/h7,9,11,13,16H,4-6,8,10H2,1-3H3/t11-,13?/m0/s1
InChIKeyVFVBRFHJNGUSNA-AMGKYWFPSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide?
The IUPAC name of N,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide (CID 81322736) is N,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide is CCN(CC)C(=O)CCNC1C[C@H](C)Sc2sccc21.
What is the InChIKey of N,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide?
The InChIKey is VFVBRFHJNGUSNA-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H24N2OS2/c1-4-17(5-2)14(18)6-8-16-13-10-11(3)20-15-12(13)7-9-19-15/h7,9,11,13,16H,4-6,8,10H2,1-3H3/t11-,13?/m0/s1.
What are the key properties of N,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide?
N,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide has a molecular weight of 312.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide is sourced from PubChem (CID 81322736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).