1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol

C12H19NOS — CID 111755705

IUPAC1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol
SMILESCC(NCC(C)(O)c1ccsc1)C1CC1
InChIInChI=1S/C12H19NOS/c1-9(10-3-4-10)13-8-12(2,14)11-5-6-15-7-11/h5-7,9-10,13-14H,3-4,8H2,1-2H3
InChIKeyYGPNYLNQSXPWLN-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.34
Rot. Bonds5

About 1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol

1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol (PubChem CID 111755705) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol
PubChem CID111755705
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol
SMILESCC(NCC(C)(O)c1ccsc1)C1CC1
InChIInChI=1S/C12H19NOS/c1-9(10-3-4-10)13-8-12(2,14)11-5-6-15-7-11/h5-7,9-10,13-14H,3-4,8H2,1-2H3
InChIKeyYGPNYLNQSXPWLN-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol
CID 81393030
1-(cyclopentylmethylamino)-2-thiophen-3-ylpropan-2-ol
CID 115907531
N-(2-hydroxy-2-thiophen-3-ylpropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 111452112
5-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-3-methylheptan-3-ol
CID 154766369
(2S)-1-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]amino]-2-thiophen-3-ylpropan-2-ol
CID 124872908
N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide
CID 109477004
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(1-methylpiperidin-4-yl)urea
CID 111453966
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
3-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452313
(2S)-2-(dimethylamino)-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111840791
(2R)-1-butanoyl-N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]pyrrolidine-2-carboxamide
CID 96567072
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylcyclopropyl)urea
CID 111450609

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol (CID 111755705) is 1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol is CC(NCC(C)(O)c1ccsc1)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol?
The InChIKey is YGPNYLNQSXPWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-9(10-3-4-10)13-8-12(2,14)11-5-6-15-7-11/h5-7,9-10,13-14H,3-4,8H2,1-2H3.
What are the key properties of 1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol?
1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol has a molecular weight of 225.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethylamino)-2-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 111755705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).