(3S)-4-amino-3-thiophen-2-ylbutanal

C8H11NOS — CID 143655944

IUPAC(3S)-4-amino-3-thiophen-2-ylbutanal
SMILESNC[C@H](CC=O)c1cccs1
InChIInChI=1S/C8H11NOS/c9-6-7(3-4-10)8-2-1-5-11-8/h1-2,4-5,7H,3,6,9H2/t7-/m0/s1
InChIKeyRDNXXPWIKKGOFD-ZETCQYMHSA-N
MW169.25 g/mol
LogP1.38
Rot. Bonds4

About (3S)-4-amino-3-thiophen-2-ylbutanal

(3S)-4-amino-3-thiophen-2-ylbutanal (PubChem CID 143655944) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is (3S)-4-amino-3-thiophen-2-ylbutanal.

Molecular Properties

Compound Name(3S)-4-amino-3-thiophen-2-ylbutanal
PubChem CID143655944
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name(3S)-4-amino-3-thiophen-2-ylbutanal
SMILESNC[C@H](CC=O)c1cccs1
InChIInChI=1S/C8H11NOS/c9-6-7(3-4-10)8-2-1-5-11-8/h1-2,4-5,7H,3,6,9H2/t7-/m0/s1
InChIKeyRDNXXPWIKKGOFD-ZETCQYMHSA-N
XLogP1.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-thiophen-2-ylpentanal
CID 83827070
(2R)-3-cyclopropyl-2-thiophen-2-ylpropan-1-amine
CID 124676129
(2S)-2-thiophen-2-ylpentan-1-amine
CID 54559295
3-nitro-2-thiophen-2-ylpropan-1-amine
CID 10726209
dibenzyl 2-[(1R)-3-oxo-1-thiophen-2-ylpropyl]propanedioate
CID 102255036
N-(3-amino-2-thiophen-2-ylpropyl)acetamide
CID 46186346
3-(dimethylamino)-3-thiophen-2-ylpropanal;hydrochloride
CID 87694662
(3R)-3-cyclopenta-1,4-dien-1-yl-3-thiophen-2-ylpropanal
CID 135006936
N',N'-dipropyl-2-thiophen-2-ylpropane-1,3-diamine
CID 82107436
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
(3S)-4-amino-3-(2-chlorophenyl)butanal
CID 170430906
(3S)-3-di(propan-2-yloxy)phosphoryl-3-thiophen-2-ylpropanal
CID 23659888

Frequently Asked Questions

What is the IUPAC name of (3S)-4-amino-3-thiophen-2-ylbutanal?
The IUPAC name of (3S)-4-amino-3-thiophen-2-ylbutanal (CID 143655944) is (3S)-4-amino-3-thiophen-2-ylbutanal.
What is the SMILES notation for (3S)-4-amino-3-thiophen-2-ylbutanal?
The canonical SMILES for (3S)-4-amino-3-thiophen-2-ylbutanal is NC[C@H](CC=O)c1cccs1.
What is the InChIKey of (3S)-4-amino-3-thiophen-2-ylbutanal?
The InChIKey is RDNXXPWIKKGOFD-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11NOS/c9-6-7(3-4-10)8-2-1-5-11-8/h1-2,4-5,7H,3,6,9H2/t7-/m0/s1.
What are the key properties of (3S)-4-amino-3-thiophen-2-ylbutanal?
(3S)-4-amino-3-thiophen-2-ylbutanal has a molecular weight of 169.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-amino-3-thiophen-2-ylbutanal is sourced from PubChem (CID 143655944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).