(3-thiophen-2-ylfuran-2-yl)methanamine

C9H9NOS — CID 82503651

IUPAC(3-thiophen-2-ylfuran-2-yl)methanamine
SMILESNCc1occc1-c1cccs1
InChIInChI=1S/C9H9NOS/c10-6-8-7(3-4-11-8)9-2-1-5-12-9/h1-5H,6,10H2
InChIKeyMKCURQSGEFSSHO-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.47
Rot. Bonds2

About (3-thiophen-2-ylfuran-2-yl)methanamine

(3-thiophen-2-ylfuran-2-yl)methanamine (PubChem CID 82503651) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is (3-thiophen-2-ylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-thiophen-2-ylfuran-2-yl)methanamine
PubChem CID82503651
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name(3-thiophen-2-ylfuran-2-yl)methanamine
SMILESNCc1occc1-c1cccs1
InChIInChI=1S/C9H9NOS/c10-6-8-7(3-4-11-8)9-2-1-5-12-9/h1-5H,6,10H2
InChIKeyMKCURQSGEFSSHO-UHFFFAOYSA-N
XLogP2.47
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine
CID 106886915
1-[(3-thiophen-2-ylfuran-2-yl)methyl]piperazine
CID 82511710
3-thiophen-2-ylfuran-2-carboxylic acid
CID 8893249
[3-(3-methoxy-1,2-thiazol-5-yl)furan-2-yl]methanamine
CID 126999962
[3-(2,3,5,6-tetrachlorophenyl)furan-2-yl]methanamine
CID 106888558
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
2-thiophen-2-yl-5-(5-thiophen-2-ylfuran-2-yl)furan
CID 102347671
5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66198188
[4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol
CID 137421749
2-amino-4-thiophen-2-ylfuran-3-carbonitrile
CID 82044048
4-thiophen-2-ylbenzene-1,3-diamine
CID 22644265

Frequently Asked Questions

What is the IUPAC name of (3-thiophen-2-ylfuran-2-yl)methanamine?
The IUPAC name of (3-thiophen-2-ylfuran-2-yl)methanamine (CID 82503651) is (3-thiophen-2-ylfuran-2-yl)methanamine.
What is the SMILES notation for (3-thiophen-2-ylfuran-2-yl)methanamine?
The canonical SMILES for (3-thiophen-2-ylfuran-2-yl)methanamine is NCc1occc1-c1cccs1.
What is the InChIKey of (3-thiophen-2-ylfuran-2-yl)methanamine?
The InChIKey is MKCURQSGEFSSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c10-6-8-7(3-4-11-8)9-2-1-5-12-9/h1-5H,6,10H2.
What are the key properties of (3-thiophen-2-ylfuran-2-yl)methanamine?
(3-thiophen-2-ylfuran-2-yl)methanamine has a molecular weight of 179.24 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiophen-2-ylfuran-2-yl)methanamine is sourced from PubChem (CID 82503651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).