1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

C12H19NOS2 — CID 115702799

IUPAC1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCOc1ccc(CNCC2(C)CCCS2)s1
InChIInChI=1S/C12H19NOS2/c1-12(6-3-7-15-12)9-13-8-10-4-5-11(14-2)16-10/h4-5,13H,3,6-9H2,1-2H3
InChIKeySIGNHWMTWCNAEW-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.13
Rot. Bonds5

About 1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (PubChem CID 115702799) has the molecular formula C12H19NOS2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
PubChem CID115702799
Molecular FormulaC12H19NOS2
Molecular Weight257.42 g/mol
Exact Mass257.09
IUPAC Name1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
SMILESCOc1ccc(CNCC2(C)CCCS2)s1
InChIInChI=1S/C12H19NOS2/c1-12(6-3-7-15-12)9-13-8-10-4-5-11(14-2)16-10/h4-5,13H,3,6-9H2,1-2H3
InChIKeySIGNHWMTWCNAEW-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylthiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528559
1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528627
3-[[(5-methoxythiophen-2-yl)methylamino]methyl]thiolan-3-ol
CID 115702721
1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528702
1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80527898
[5-[[(2-methylthiolan-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 80528732
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528676
N-[(2-methylthiolan-2-yl)methyl]-1-(2,3,6-trichlorophenyl)methanamine
CID 80726014
1-(4-ethoxy-3-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528549
N-[(2-methylthiolan-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 80528835
1-(3-bromo-4,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528631
1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80723834

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine (CID 115702799) is 1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is COc1ccc(CNCC2(C)CCCS2)s1.
What is the InChIKey of 1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
The InChIKey is SIGNHWMTWCNAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS2/c1-12(6-3-7-15-12)9-13-8-10-4-5-11(14-2)16-10/h4-5,13H,3,6-9H2,1-2H3.
What are the key properties of 1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine?
1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine has a molecular weight of 257.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxythiophen-2-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine is sourced from PubChem (CID 115702799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).