(2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol

C17H23NO2S — CID 93161321

IUPAC(2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol
SMILESCOCCN(Cc1cccs1)C[C@@H](O)Cc1ccccc1
InChIInChI=1S/C17H23NO2S/c1-20-10-9-18(14-17-8-5-11-21-17)13-16(19)12-15-6-3-2-4-7-15/h2-8,11,16,19H,9-10,12-14H2,1H3/t16-/m0/s1
InChIKeyRCHSACNNYUFNFP-INIZCTEOSA-N
MW305.44 g/mol
LogP2.80
Rot. Bonds9

About (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol

(2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol (PubChem CID 93161321) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol
PubChem CID93161321
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name(2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol
SMILESCOCCN(Cc1cccs1)C[C@@H](O)Cc1ccccc1
InChIInChI=1S/C17H23NO2S/c1-20-10-9-18(14-17-8-5-11-21-17)13-16(19)12-15-6-3-2-4-7-15/h2-8,11,16,19H,9-10,12-14H2,1H3/t16-/m0/s1
InChIKeyRCHSACNNYUFNFP-INIZCTEOSA-N
XLogP2.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol?
The IUPAC name of (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol (CID 93161321) is (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol.
What is the SMILES notation for (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol?
The canonical SMILES for (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol is COCCN(Cc1cccs1)C[C@@H](O)Cc1ccccc1.
What is the InChIKey of (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol?
The InChIKey is RCHSACNNYUFNFP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-20-10-9-18(14-17-8-5-11-21-17)13-16(19)12-15-6-3-2-4-7-15/h2-8,11,16,19H,9-10,12-14H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol?
(2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol has a molecular weight of 305.44 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 93161321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).