2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid

C15H19NO3S2 — CID 81265720

IUPAC2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)c2cc3c(s2)CCSC3)CCC1
InChIInChI=1S/C15H19NO3S2/c17-13(18)7-15(3-1-4-15)9-16-14(19)12-6-10-8-20-5-2-11(10)21-12/h6H,1-5,7-9H2,(H,16,19)(H,17,18)
InChIKeyFVXXYJGYGQIDMS-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.91
Rot. Bonds5

About 2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid

2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81265720) has the molecular formula C15H19NO3S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid
PubChem CID81265720
Molecular FormulaC15H19NO3S2
Molecular Weight325.46 g/mol
Exact Mass325.08
IUPAC Name2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)c2cc3c(s2)CCSC3)CCC1
InChIInChI=1S/C15H19NO3S2/c17-13(18)7-15(3-1-4-15)9-16-14(19)12-6-10-8-20-5-2-11(10)21-12/h6H,1-5,7-9H2,(H,16,19)(H,17,18)
InChIKeyFVXXYJGYGQIDMS-UHFFFAOYSA-N
XLogP2.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid with MolForge

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 115700141
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)cyclobutane-1-carboxylic acid
CID 81268142
N-[1-(chloromethyl)cyclopentyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 114300741
methyl 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)acetate
CID 80708882
6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)hexanoic acid
CID 81269085
N-(3,3-difluoro-2-hydroxypropyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 103770045
N-(6-chlorohexyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 114008438
N-[[2-(bromomethyl)cyclopentyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 114317282
3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)-2-methoxypropanoic acid
CID 114144327
N-[(2-chlorocyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 114301654
N-[(1-aminocyclohexyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 119404697
N-[[1-(bromomethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 115456439

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid (CID 81265720) is 2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)c2cc3c(s2)CCSC3)CCC1.
What is the InChIKey of 2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is FVXXYJGYGQIDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S2/c17-13(18)7-15(3-1-4-15)9-16-14(19)12-6-10-8-20-5-2-11(10)21-12/h6H,1-5,7-9H2,(H,16,19)(H,17,18).
What are the key properties of 2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 325.46 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81265720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).