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

C11H15NOS — CID 163994540

IUPACN-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]cyclopropanamine
SMILESc1cc2c(s1)CCO[C@@H]2CNC1CC1
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/t10-/m1/s1
InChIKeyARVIBMQBZQVIHJ-SNVBAGLBSA-N
MW209.31 g/mol
LogP2.11
Rot. Bonds3

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

N-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]cyclopropanamine (PubChem CID 163994540) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is N-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]cyclopropanamine
PubChem CID163994540
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameN-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]cyclopropanamine
SMILESc1cc2c(s1)CCO[C@@H]2CNC1CC1
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/t10-/m1/s1
InChIKeyARVIBMQBZQVIHJ-SNVBAGLBSA-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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Related Compounds

N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)cyclopropanamine
CID 53237819
4-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)morpholine
CID 53238051
1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)piperidine
CID 53238279
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 71870635
1-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 96527607
3-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 75376849
1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea
CID 97048851
1-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[[(2S)-2-methylthiolan-2-yl]methyl]urea
CID 97224594
4-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethylamino)cinnoline-3-carbonitrile
CID 91643501
N-[[(1S)-5-pyridin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methyl]cyclopropanamine;hydrochloride
CID 137460287
2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]pyrrolidine
CID 53238282
N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide
CID 136572491

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]cyclopropanamine (CID 163994540) is N-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]cyclopropanamine is c1cc2c(s1)CCO[C@@H]2CNC1CC1.
What is the InChIKey of N-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]cyclopropanamine?
The InChIKey is ARVIBMQBZQVIHJ-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of N-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]cyclopropanamine?
N-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]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-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 163994540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).