(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol

C9H15NOS — CID 93082161

IUPAC(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
SMILESC[C@@H](O)CN[C@H](C)c1cccs1
InChIInChI=1S/C9H15NOS/c1-7(11)6-10-8(2)9-4-3-5-12-9/h3-5,7-8,10-11H,6H2,1-2H3/t7-,8-/m1/s1
InChIKeyPKMSHQXUAKNYJJ-HTQZYQBOSA-N
MW185.29 g/mol
LogP1.78
Rot. Bonds4

About (2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol

(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol (PubChem CID 93082161) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is (2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
PubChem CID93082161
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
SMILESC[C@@H](O)CN[C@H](C)c1cccs1
InChIInChI=1S/C9H15NOS/c1-7(11)6-10-8(2)9-4-3-5-12-9/h3-5,7-8,10-11H,6H2,1-2H3/t7-,8-/m1/s1
InChIKeyPKMSHQXUAKNYJJ-HTQZYQBOSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol with MolForge

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Related Compounds

3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
(2S)-1-[(3-methyl-1-thiophen-2-ylbutyl)amino]propan-2-ol
CID 103906407
1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408465
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine
CID 81398925
2-amino-3-(1-thiophen-2-ylethylamino)propanoic acid
CID 64583236
1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408060
1-(2-chlorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 81409365
2-bromo-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine
CID 81408877
1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol
CID 54938378
2-N,2-N-dimethyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
CID 115714105
methyl 2-bromo-3-(1-thiophen-2-ylethylamino)propanoate
CID 103238683

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol (CID 93082161) is (2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol is C[C@@H](O)CN[C@H](C)c1cccs1.
What is the InChIKey of (2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol?
The InChIKey is PKMSHQXUAKNYJJ-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7(11)6-10-8(2)9-4-3-5-12-9/h3-5,7-8,10-11H,6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol?
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol has a molecular weight of 185.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol is sourced from PubChem (CID 93082161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).