4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide

C12H19N3OS — CID 66426893

IUPAC4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide
SMILESNCC(CC(N)=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H19N3OS/c13-6-11(5-12(14)16)15(10-1-2-10)7-9-3-4-17-8-9/h3-4,8,10-11H,1-2,5-7,13H2,(H2,14,16)
InChIKeyHPTWVTABYDRUIB-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.92
Rot. Bonds7

About 4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide

4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide (PubChem CID 66426893) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide.

Molecular Properties

Compound Name4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide
PubChem CID66426893
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide
SMILESNCC(CC(N)=O)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H19N3OS/c13-6-11(5-12(14)16)15(10-1-2-10)7-9-3-4-17-8-9/h3-4,8,10-11H,1-2,5-7,13H2,(H2,14,16)
InChIKeyHPTWVTABYDRUIB-UHFFFAOYSA-N
XLogP0.92
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide?
The IUPAC name of 4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide (CID 66426893) is 4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide.
What is the SMILES notation for 4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide?
The canonical SMILES for 4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide is NCC(CC(N)=O)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide?
The InChIKey is HPTWVTABYDRUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-6-11(5-12(14)16)15(10-1-2-10)7-9-3-4-17-8-9/h3-4,8,10-11H,1-2,5-7,13H2,(H2,14,16).
What are the key properties of 4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide?
4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide has a molecular weight of 253.37 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclopropyl(thiophen-3-ylmethyl)amino]butanamide is sourced from PubChem (CID 66426893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).