4-butan-2-ylthiophen-3-amine

C8H13NS — CID 82416252

IUPAC4-butan-2-ylthiophen-3-amine
SMILESCCC(C)c1cscc1N
InChIInChI=1S/C8H13NS/c1-3-6(2)7-4-10-5-8(7)9/h4-6H,3,9H2,1-2H3
InChIKeyNSBGXHPGWGLNIV-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.84
Rot. Bonds2

About 4-butan-2-ylthiophen-3-amine

4-butan-2-ylthiophen-3-amine (PubChem CID 82416252) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 4-butan-2-ylthiophen-3-amine.

Molecular Properties

Compound Name4-butan-2-ylthiophen-3-amine
PubChem CID82416252
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name4-butan-2-ylthiophen-3-amine
SMILESCCC(C)c1cscc1N
InChIInChI=1S/C8H13NS/c1-3-6(2)7-4-10-5-8(7)9/h4-6H,3,9H2,1-2H3
InChIKeyNSBGXHPGWGLNIV-UHFFFAOYSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylthiophen-3-amine?
The IUPAC name of 4-butan-2-ylthiophen-3-amine (CID 82416252) is 4-butan-2-ylthiophen-3-amine.
What is the SMILES notation for 4-butan-2-ylthiophen-3-amine?
The canonical SMILES for 4-butan-2-ylthiophen-3-amine is CCC(C)c1cscc1N.
What is the InChIKey of 4-butan-2-ylthiophen-3-amine?
The InChIKey is NSBGXHPGWGLNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-6(2)7-4-10-5-8(7)9/h4-6H,3,9H2,1-2H3.
What are the key properties of 4-butan-2-ylthiophen-3-amine?
4-butan-2-ylthiophen-3-amine has a molecular weight of 155.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylthiophen-3-amine is sourced from PubChem (CID 82416252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).