N-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine

C16H23NS2 — CID 81261896

IUPACN-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)c1cc2c(s1)CCSC2
InChIInChI=1S/C16H23NS2/c1-2-17-16(12-6-4-3-5-7-12)15-10-13-11-18-9-8-14(13)19-15/h6,10,16-17H,2-5,7-9,11H2,1H3
InChIKeyPQZOWVUDXMOCEU-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.69
Rot. Bonds4

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

N-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine (PubChem CID 81261896) has the molecular formula C16H23NS2 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine
PubChem CID81261896
Molecular FormulaC16H23NS2
Molecular Weight293.50 g/mol
Exact Mass293.13
IUPAC NameN-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCC1)c1cc2c(s1)CCSC2
InChIInChI=1S/C16H23NS2/c1-2-17-16(12-6-4-3-5-7-12)15-10-13-11-18-9-8-14(13)19-15/h6,10,16-17H,2-5,7-9,11H2,1H3
InChIKeyPQZOWVUDXMOCEU-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

1-(cyclopenten-1-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 81260637
N-[(2,5-dibromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine
CID 81260634
N-[cyclopenten-1-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 63506305
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023233
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852042
1-(cyclohepten-1-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 62078546
N-[2,3-dihydrofuran-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]propan-1-amine
CID 102653289
N-[(5-bromo-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methyl]ethanamine
CID 79981880
N-[cycloocten-1-yl(thiadiazol-5-yl)methyl]ethanamine
CID 106656392
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81266374
N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991457
1-(cyclopenten-1-yl)-N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 62078344

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine (CID 81261896) is N-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine is CCNC(C1=CCCCC1)c1cc2c(s1)CCSC2.
What is the InChIKey of N-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine?
The InChIKey is PQZOWVUDXMOCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS2/c1-2-17-16(12-6-4-3-5-7-12)15-10-13-11-18-9-8-14(13)19-15/h6,10,16-17H,2-5,7-9,11H2,1H3.
What are the key properties of N-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine?
N-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine has a molecular weight of 293.50 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]ethanamine is sourced from PubChem (CID 81261896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).