(2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol

C17H21NOS — CID 124861861

IUPAC(2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol
SMILESC[C@](O)(CN[C@H]1CC[C@H]1c1ccccc1)c1cccs1
InChIInChI=1S/C17H21NOS/c1-17(19,16-8-5-11-20-16)12-18-15-10-9-14(15)13-6-3-2-4-7-13/h2-8,11,14-15,18-19H,9-10,12H2,1H3/t14-,15-,17-/m0/s1
InChIKeyKBNUGDOXVNCZBK-ZOBUZTSGSA-N
MW287.43 g/mol
LogP3.49
Rot. Bonds5

About (2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol

(2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol (PubChem CID 124861861) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is (2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol
PubChem CID124861861
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name(2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol
SMILESC[C@](O)(CN[C@H]1CC[C@H]1c1ccccc1)c1cccs1
InChIInChI=1S/C17H21NOS/c1-17(19,16-8-5-11-20-16)12-18-15-10-9-14(15)13-6-3-2-4-7-13/h2-8,11,14-15,18-19H,9-10,12H2,1H3/t14-,15-,17-/m0/s1
InChIKeyKBNUGDOXVNCZBK-ZOBUZTSGSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-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-[(2-methylcyclopentyl)amino]-2-thiophen-2-ylpropan-2-ol
CID 115689454
1-[(2-methyloxolan-3-yl)amino]-2-thiophen-2-ylpropan-2-ol
CID 115751394
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
1-[4-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111467106
2-N,2-N,2-trimethyl-1-N-(2-phenylcyclohexyl)propane-1,2-diamine
CID 43767796
3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105347
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclohexan-1-ol
CID 80526507
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]cyclopentan-1-ol
CID 80526295
cis-(1S,2S)-N-tert-butyl-2-phenylcyclobutan-1-amine
CID 102179465
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111478212
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95983514

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of (2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol (CID 124861861) is (2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol is C[C@](O)(CN[C@H]1CC[C@H]1c1ccccc1)c1cccs1.
What is the InChIKey of (2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol?
The InChIKey is KBNUGDOXVNCZBK-ZOBUZTSGSA-N. The full InChI is InChI=1S/C17H21NOS/c1-17(19,16-8-5-11-20-16)12-18-15-10-9-14(15)13-6-3-2-4-7-13/h2-8,11,14-15,18-19H,9-10,12H2,1H3/t14-,15-,17-/m0/s1.
What are the key properties of (2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol?
(2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol has a molecular weight of 287.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(1S,2S)-2-phenylcyclobutyl]amino]-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 124861861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).