N-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine

C15H23NS2 — CID 80709318

IUPACN-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine
SMILESc1c(CNC2CCCCCC2)sc2c1CSCC2
InChIInChI=1S/C15H23NS2/c1-2-4-6-13(5-3-1)16-10-14-9-12-11-17-8-7-15(12)18-14/h9,13,16H,1-8,10-11H2
InChIKeyIJWPVJNXUOADCH-UHFFFAOYSA-N
MW281.49 g/mol
LogP4.35
Rot. Bonds3

About N-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine

N-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine (PubChem CID 80709318) has the molecular formula C15H23NS2 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine
PubChem CID80709318
Molecular FormulaC15H23NS2
Molecular Weight281.49 g/mol
Exact Mass281.13
IUPAC NameN-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine
SMILESc1c(CNC2CCCCCC2)sc2c1CSCC2
InChIInChI=1S/C15H23NS2/c1-2-4-6-13(5-3-1)16-10-14-9-12-11-17-8-7-15(12)18-14/h9,13,16H,1-8,10-11H2
InChIKeyIJWPVJNXUOADCH-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine 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-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine?
The IUPAC name of N-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine (CID 80709318) is N-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine.
What is the SMILES notation for N-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine?
The canonical SMILES for N-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine is c1c(CNC2CCCCCC2)sc2c1CSCC2.
What is the InChIKey of N-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine?
The InChIKey is IJWPVJNXUOADCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS2/c1-2-4-6-13(5-3-1)16-10-14-9-12-11-17-8-7-15(12)18-14/h9,13,16H,1-8,10-11H2.
What are the key properties of N-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine?
N-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine has a molecular weight of 281.49 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethyl)cycloheptanamine is sourced from PubChem (CID 80709318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).