1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine

C14H19NS2 — CID 81260637

IUPAC1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
SMILESCNC(C1=CCCC1)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H19NS2/c1-15-14(10-4-2-3-5-10)13-8-11-9-16-7-6-12(11)17-13/h4,8,14-15H,2-3,5-7,9H2,1H3
InChIKeyASOBJHRCVSWFBS-UHFFFAOYSA-N
MW265.45 g/mol
LogP3.91
Rot. Bonds3

About 1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine

1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine (PubChem CID 81260637) has the molecular formula C14H19NS2 and a molecular weight of 265.45 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
PubChem CID81260637
Molecular FormulaC14H19NS2
Molecular Weight265.45 g/mol
Exact Mass265.10
IUPAC Name1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
SMILESCNC(C1=CCCC1)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H19NS2/c1-15-14(10-4-2-3-5-10)13-8-11-9-16-7-6-12(11)17-13/h4,8,14-15H,2-3,5-7,9H2,1H3
InChIKeyASOBJHRCVSWFBS-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine with MolForge

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Related Compounds

N-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine
CID 81261896
1-(cyclopenten-1-yl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 62078344
1-(cyclohepten-1-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 62078546
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 81266343
1-(3,5-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 115851550
1-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 81261722
1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 81261725
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791833
1-(2-chloro-4,5-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 107476199
1-(2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 115801117
1-(4-bromo-2,5-dimethylphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 81266356
1-cycloheptyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 105027681

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine (CID 81260637) is 1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine is CNC(C1=CCCC1)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine?
The InChIKey is ASOBJHRCVSWFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS2/c1-15-14(10-4-2-3-5-10)13-8-11-9-16-7-6-12(11)17-13/h4,8,14-15H,2-3,5-7,9H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine?
1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine has a molecular weight of 265.45 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 81260637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).