(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one

C14H23N3OS — CID 11312069

IUPAC(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
SMILESN[C@@H](CCNCc1cccs1)C(=O)N1CCCCC1
InChIInChI=1S/C14H23N3OS/c15-13(14(18)17-8-2-1-3-9-17)6-7-16-11-12-5-4-10-19-12/h4-5,10,13,16H,1-3,6-9,11,15H2/t13-/m0/s1
InChIKeyVUZNUKCZPSOACZ-ZDUSSCGKSA-N
MW281.42 g/mol
LogP1.57
Rot. Bonds6

About (2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one

(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one (PubChem CID 11312069) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is (2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
PubChem CID11312069
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
SMILESN[C@@H](CCNCc1cccs1)C(=O)N1CCCCC1
InChIInChI=1S/C14H23N3OS/c15-13(14(18)17-8-2-1-3-9-17)6-7-16-11-12-5-4-10-19-12/h4-5,10,13,16H,1-3,6-9,11,15H2/t13-/m0/s1
InChIKeyVUZNUKCZPSOACZ-ZDUSSCGKSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one?
The IUPAC name of (2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one (CID 11312069) is (2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one?
The canonical SMILES for (2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one is N[C@@H](CCNCc1cccs1)C(=O)N1CCCCC1.
What is the InChIKey of (2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one?
The InChIKey is VUZNUKCZPSOACZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23N3OS/c15-13(14(18)17-8-2-1-3-9-17)6-7-16-11-12-5-4-10-19-12/h4-5,10,13,16H,1-3,6-9,11,15H2/t13-/m0/s1.
What are the key properties of (2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one?
(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one has a molecular weight of 281.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one is sourced from PubChem (CID 11312069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).