acetic acid;(4-methoxythiophen-3-yl)methanamine

C8H13NO3S — CID 162342941

IUPACacetic acid;(4-methoxythiophen-3-yl)methanamine
SMILESCC(=O)O.COc1cscc1CN
InChIInChI=1S/C6H9NOS.C2H4O2/c1-8-6-4-9-3-5(6)2-7;1-2(3)4/h3-4H,2,7H2,1H3;1H3,(H,3,4)
InChIKeyWPVSLBUAHWXIPH-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.31
Rot. Bonds2

About acetic acid;(4-methoxythiophen-3-yl)methanamine

acetic acid;(4-methoxythiophen-3-yl)methanamine (PubChem CID 162342941) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is acetic acid;(4-methoxythiophen-3-yl)methanamine.

Molecular Properties

Compound Nameacetic acid;(4-methoxythiophen-3-yl)methanamine
PubChem CID162342941
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Nameacetic acid;(4-methoxythiophen-3-yl)methanamine
SMILESCC(=O)O.COc1cscc1CN
InChIInChI=1S/C6H9NOS.C2H4O2/c1-8-6-4-9-3-5(6)2-7;1-2(3)4/h3-4H,2,7H2,1H3;1H3,(H,3,4)
InChIKeyWPVSLBUAHWXIPH-UHFFFAOYSA-N
XLogP1.31
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methoxymethyl)thiophen-3-yl]methanamine
CID 82415876
3-(4-methoxythiophen-3-yl)propan-1-ol
CID 68749892
[4-(2-methoxy-4,5-dimethylphenyl)thiophen-3-yl]methanamine
CID 82479970
ethyl 4-methoxythiophene-3-carboxylate
CID 71721051
[4-(3,4-dimethoxyphenyl)thiophen-3-yl]methanamine
CID 82480620
N-ethyl-4-methoxythiophene-3-carboxamide
CID 18712313
3-(aminomethyl)-4,5-dimethoxyphenol
CID 117279442
2-(4-methoxycarbonylthiophen-3-yl)acetic acid
CID 138046216
[4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)thiophen-3-yl]methanamine
CID 98019630
methyl N-[4-[(4-methoxythiophen-3-yl)methoxy]-2-methylphenyl]carbamate
CID 139811024
4-(2-methoxy-2-oxoethyl)thiophene-3-carboxylic acid
CID 14326173
2-(3,4-dimethoxythiophen-2-yl)acetic acid
CID 96761580

Frequently Asked Questions

What is the IUPAC name of acetic acid;(4-methoxythiophen-3-yl)methanamine?
The IUPAC name of acetic acid;(4-methoxythiophen-3-yl)methanamine (CID 162342941) is acetic acid;(4-methoxythiophen-3-yl)methanamine.
What is the SMILES notation for acetic acid;(4-methoxythiophen-3-yl)methanamine?
The canonical SMILES for acetic acid;(4-methoxythiophen-3-yl)methanamine is CC(=O)O.COc1cscc1CN.
What is the InChIKey of acetic acid;(4-methoxythiophen-3-yl)methanamine?
The InChIKey is WPVSLBUAHWXIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS.C2H4O2/c1-8-6-4-9-3-5(6)2-7;1-2(3)4/h3-4H,2,7H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;(4-methoxythiophen-3-yl)methanamine?
acetic acid;(4-methoxythiophen-3-yl)methanamine has a molecular weight of 203.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(4-methoxythiophen-3-yl)methanamine is sourced from PubChem (CID 162342941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).