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

C12H18N2OS2 — CID 81327764

IUPACN-methyl-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide
SMILESCNC(=O)C(C)NC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C12H18N2OS2/c1-7-6-10(14-8(2)11(15)13-3)9-4-5-16-12(9)17-7/h4-5,7-8,10,14H,6H2,1-3H3,(H,13,15)/t7-,8?,10?/m0/s1
InChIKeyKZXTVMUDLTZGEW-JEUQWKINSA-N
MW270.42 g/mol
LogP2.40
Rot. Bonds3

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

N-methyl-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide (PubChem CID 81327764) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-methyl-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide
PubChem CID81327764
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC NameN-methyl-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide
SMILESCNC(=O)C(C)NC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C12H18N2OS2/c1-7-6-10(14-8(2)11(15)13-3)9-4-5-16-12(9)17-7/h4-5,7-8,10,14H,6H2,1-3H3,(H,13,15)/t7-,8?,10?/m0/s1
InChIKeyKZXTVMUDLTZGEW-JEUQWKINSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide?
The IUPAC name of N-methyl-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide (CID 81327764) is N-methyl-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide.
What is the SMILES notation for N-methyl-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide?
The canonical SMILES for N-methyl-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide is CNC(=O)C(C)NC1C[C@H](C)Sc2sccc21.
What is the InChIKey of N-methyl-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide?
The InChIKey is KZXTVMUDLTZGEW-JEUQWKINSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-7-6-10(14-8(2)11(15)13-3)9-4-5-16-12(9)17-7/h4-5,7-8,10,14H,6H2,1-3H3,(H,13,15)/t7-,8?,10?/m0/s1.
What are the key properties of N-methyl-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide?
N-methyl-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide has a molecular weight of 270.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propanamide is sourced from PubChem (CID 81327764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).