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

C11H15NOS — CID 53237819

IUPACN-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)cyclopropanamine
SMILESc1cc2c(s1)CCOC2CNC1CC1
InChIInChI=1S/C11H15NOS/c1-2-8(1)12-7-10-9-4-6-14-11(9)3-5-13-10/h4,6,8,10,12H,1-3,5,7H2
InChIKeyARVIBMQBZQVIHJ-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.11
Rot. Bonds3

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

N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)cyclopropanamine (PubChem CID 53237819) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)cyclopropanamine
PubChem CID53237819
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameN-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)cyclopropanamine
SMILESc1cc2c(s1)CCOC2CNC1CC1
InChIInChI=1S/C11H15NOS/c1-2-8(1)12-7-10-9-4-6-14-11(9)3-5-13-10/h4,6,8,10,12H,1-3,5,7H2
InChIKeyARVIBMQBZQVIHJ-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)cyclopropanamine?
The IUPAC name of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)cyclopropanamine (CID 53237819) is N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)cyclopropanamine is c1cc2c(s1)CCOC2CNC1CC1.
What is the InChIKey of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)cyclopropanamine?
The InChIKey is ARVIBMQBZQVIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-2-8(1)12-7-10-9-4-6-14-11(9)3-5-13-10/h4,6,8,10,12H,1-3,5,7H2.
What are the key properties of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)cyclopropanamine?
N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)cyclopropanamine has a molecular weight of 209.31 g/mol, XLogP of 2.11, 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]pyran-4-ylmethyl)cyclopropanamine is sourced from PubChem (CID 53237819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).