4-amino-4-thiophen-2-ylbutanamide

C8H12N2OS — CID 60860619

IUPAC4-amino-4-thiophen-2-ylbutanamide
SMILESNC(=O)CCC(N)c1cccs1
InChIInChI=1S/C8H12N2OS/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5-6H,3-4,9H2,(H2,10,11)
InChIKeyGCFBDGAUVQYQBP-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.01
Rot. Bonds4

About 4-amino-4-thiophen-2-ylbutanamide

4-amino-4-thiophen-2-ylbutanamide (PubChem CID 60860619) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-amino-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-4-thiophen-2-ylbutanamide
PubChem CID60860619
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name4-amino-4-thiophen-2-ylbutanamide
SMILESNC(=O)CCC(N)c1cccs1
InChIInChI=1S/C8H12N2OS/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5-6H,3-4,9H2,(H2,10,11)
InChIKeyGCFBDGAUVQYQBP-UHFFFAOYSA-N
XLogP1.01
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-amino-4-thiophen-2-ylbutanoic acid
CID 28744265
4-amino-4-thiophen-2-ylbutanoic acid
CID 21318673
5-amino-5-thiophen-2-ylpentan-2-one
CID 116940647
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
5-amino-3-methyl-5-thiophen-2-ylpentanamide
CID 62933995
3-amino-3-thiophen-2-ylpropane-1-thiol
CID 116831185
ethyl 6-amino-6-thiophen-2-ylhexanoate
CID 60862649
2-amino-N,N-bis(2-amino-2-oxoethyl)-2-thiophen-2-ylacetamide
CID 113279235
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564
1-thiophen-2-ylundecan-1-amine
CID 63414388
1-thiophen-2-yloctan-1-amine
CID 22115201
3-(4-bromophenoxy)-1-thiophen-2-ylpropan-1-amine
CID 54971662

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-thiophen-2-ylbutanamide?
The IUPAC name of 4-amino-4-thiophen-2-ylbutanamide (CID 60860619) is 4-amino-4-thiophen-2-ylbutanamide.
What is the SMILES notation for 4-amino-4-thiophen-2-ylbutanamide?
The canonical SMILES for 4-amino-4-thiophen-2-ylbutanamide is NC(=O)CCC(N)c1cccs1.
What is the InChIKey of 4-amino-4-thiophen-2-ylbutanamide?
The InChIKey is GCFBDGAUVQYQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c9-6(3-4-8(10)11)7-2-1-5-12-7/h1-2,5-6H,3-4,9H2,(H2,10,11).
What are the key properties of 4-amino-4-thiophen-2-ylbutanamide?
4-amino-4-thiophen-2-ylbutanamide has a molecular weight of 184.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 60860619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).