1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine

C14H17NOS — CID 113243110

IUPAC1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccoc1CNCc1cc2c(s1)CCC2
InChIInChI=1S/C14H17NOS/c1-10-5-6-16-13(10)9-15-8-12-7-11-3-2-4-14(11)17-12/h5-7,15H,2-4,8-9H2,1H3
InChIKeyOJHHXSMGSYRXNS-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.43
Rot. Bonds4

About 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine

1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine (PubChem CID 113243110) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
PubChem CID113243110
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccoc1CNCc1cc2c(s1)CCC2
InChIInChI=1S/C14H17NOS/c1-10-5-6-16-13(10)9-15-8-12-7-11-3-2-4-14(11)17-12/h5-7,15H,2-4,8-9H2,1H3
InChIKeyOJHHXSMGSYRXNS-UHFFFAOYSA-N
XLogP3.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 61208540
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pentan-1-amine
CID 61208352
1-(4-cyclopropylphenyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanamine
CID 79969750
N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine
CID 113405391
3-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]benzene-1,2-diol
CID 61320351
2-[5-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 82893996
N-[(2-chloro-6-fluorophenyl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 61207961
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 82889883
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 64800474
4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]pyridine-2-carbonitrile
CID 63881524
4-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]-5-methylfuran-2-carboxylic acid
CID 103242944
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine
CID 55112619

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine (CID 113243110) is 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine is Cc1ccoc1CNCc1cc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
The InChIKey is OJHHXSMGSYRXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-10-5-6-16-13(10)9-15-8-12-7-11-3-2-4-14(11)17-12/h5-7,15H,2-4,8-9H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine?
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine has a molecular weight of 247.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 113243110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).