2,2-dimethyl-3H-thiophen-5-amine

C6H11NS — CID 146429928

IUPAC2,2-dimethyl-3H-thiophen-5-amine
SMILESCC1(C)CC=C(N)S1
InChIInChI=1S/C6H11NS/c1-6(2)4-3-5(7)8-6/h3H,4,7H2,1-2H3
InChIKeyFRADWVYMZKXQQB-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.70
Rot. Bonds

About 2,2-dimethyl-3H-thiophen-5-amine

2,2-dimethyl-3H-thiophen-5-amine (PubChem CID 146429928) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 2,2-dimethyl-3H-thiophen-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-3H-thiophen-5-amine
PubChem CID146429928
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name2,2-dimethyl-3H-thiophen-5-amine
SMILESCC1(C)CC=C(N)S1
InChIInChI=1S/C6H11NS/c1-6(2)4-3-5(7)8-6/h3H,4,7H2,1-2H3
InChIKeyFRADWVYMZKXQQB-UHFFFAOYSA-N
XLogP1.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3H-thiophen-5-amine?
The IUPAC name of 2,2-dimethyl-3H-thiophen-5-amine (CID 146429928) is 2,2-dimethyl-3H-thiophen-5-amine.
What is the SMILES notation for 2,2-dimethyl-3H-thiophen-5-amine?
The canonical SMILES for 2,2-dimethyl-3H-thiophen-5-amine is CC1(C)CC=C(N)S1.
What is the InChIKey of 2,2-dimethyl-3H-thiophen-5-amine?
The InChIKey is FRADWVYMZKXQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-6(2)4-3-5(7)8-6/h3H,4,7H2,1-2H3.
What are the key properties of 2,2-dimethyl-3H-thiophen-5-amine?
2,2-dimethyl-3H-thiophen-5-amine has a molecular weight of 129.23 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3H-thiophen-5-amine is sourced from PubChem (CID 146429928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).