3,4,5-trimethoxythiophen-2-amine

C7H11NO3S — CID 98774107

IUPAC3,4,5-trimethoxythiophen-2-amine
SMILESCOc1sc(N)c(OC)c1OC
InChIInChI=1S/C7H11NO3S/c1-9-4-5(10-2)7(11-3)12-6(4)8/h8H2,1-3H3
InChIKeyNSRMMXCLKANMAM-UHFFFAOYSA-N
MW189.24 g/mol
LogP1.36
Rot. Bonds3

About 3,4,5-trimethoxythiophen-2-amine

3,4,5-trimethoxythiophen-2-amine (PubChem CID 98774107) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 3,4,5-trimethoxythiophen-2-amine.

Molecular Properties

Compound Name3,4,5-trimethoxythiophen-2-amine
PubChem CID98774107
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name3,4,5-trimethoxythiophen-2-amine
SMILESCOc1sc(N)c(OC)c1OC
InChIInChI=1S/C7H11NO3S/c1-9-4-5(10-2)7(11-3)12-6(4)8/h8H2,1-3H3
InChIKeyNSRMMXCLKANMAM-UHFFFAOYSA-N
XLogP1.36
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3,4-dimethoxythiophene-2-carboxylic acid
CID 112545413
2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene
CID 139909565
2,3-dibromo-4,5-dimethoxythiophene
CID 178076239
6-methoxythieno[2,3-d][1,3]thiazole-2,5-diamine
CID 87768176
3-chloro-4-methoxy-5-methylthiophen-2-amine
CID 142407212
3,4-dimethoxythiophen-2-amine
CID 88979037
2,3,7,8,12,13,17,18-octamethoxy-5,10,15,28-tetrathianonacyclo[17.8.1.04,26.06,25.09,24.011,23.014,22.016,21.020,27]octacosa-1,3,6,8,11,13,16,18,20,22,24,26-dodecaene
CID 135031647
4-bromo-3,5-dimethoxythiophene-2-carboxylate
CID 138106546
6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine
CID 130971658
5-amino-4,6-dimethoxybenzene-1,3-diol
CID 45091349
5-(chloromethyl)-2-methoxy-1-benzothiophen-3-amine
CID 131053815
2,3,5,6-tetramethoxyaniline
CID 19093015

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxythiophen-2-amine?
The IUPAC name of 3,4,5-trimethoxythiophen-2-amine (CID 98774107) is 3,4,5-trimethoxythiophen-2-amine.
What is the SMILES notation for 3,4,5-trimethoxythiophen-2-amine?
The canonical SMILES for 3,4,5-trimethoxythiophen-2-amine is COc1sc(N)c(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxythiophen-2-amine?
The InChIKey is NSRMMXCLKANMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-9-4-5(10-2)7(11-3)12-6(4)8/h8H2,1-3H3.
What are the key properties of 3,4,5-trimethoxythiophen-2-amine?
3,4,5-trimethoxythiophen-2-amine has a molecular weight of 189.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxythiophen-2-amine is sourced from PubChem (CID 98774107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).