N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine

C11H13NS2 — CID 60744110

IUPACN-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCc1ccsc1CNCc1ccsc1
InChIInChI=1S/C11H13NS2/c1-9-2-5-14-11(9)7-12-6-10-3-4-13-8-10/h2-5,8,12H,6-7H2,1H3
InChIKeyZJQGRLVIXPQAEL-UHFFFAOYSA-N
MW223.37 g/mol
LogP3.41
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine

N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 60744110) has the molecular formula C11H13NS2 and a molecular weight of 223.37 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID60744110
Molecular FormulaC11H13NS2
Molecular Weight223.37 g/mol
Exact Mass223.05
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCc1ccsc1CNCc1ccsc1
InChIInChI=1S/C11H13NS2/c1-9-2-5-14-11(9)7-12-6-10-3-4-13-8-10/h2-5,8,12H,6-7H2,1H3
InChIKeyZJQGRLVIXPQAEL-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 113225343
N-[(3-methylthiophen-2-yl)methyl]-2-thiophen-3-ylpropan-1-amine
CID 115667086
1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 63001646
1-(4-ethoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 113221923
[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methanol
CID 103648607
N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine
CID 60956605
2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde
CID 115223017
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-thiophen-3-ylmethanamine
CID 79039417
1-(2,3-dihydro-1H-isoindol-5-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 103998382
1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 55027547
4-[[(3-methylthiophen-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380259
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-3-ylmethanamine
CID 63305628

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine (CID 60744110) is N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine is Cc1ccsc1CNCc1ccsc1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is ZJQGRLVIXPQAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS2/c1-9-2-5-14-11(9)7-12-6-10-3-4-13-8-10/h2-5,8,12H,6-7H2,1H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine?
N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 223.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 60744110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).