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

C15H27NO3S — CID 93161323

IUPAC(2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCOCCN(Cc1cccs1)C[C@H](O)COCC(C)C
InChIInChI=1S/C15H27NO3S/c1-13(2)11-19-12-14(17)9-16(6-7-18-3)10-15-5-4-8-20-15/h4-5,8,13-14,17H,6-7,9-12H2,1-3H3/t14-/m0/s1
InChIKeyXZWYSLARRNWSNR-AWEZNQCLSA-N
MW301.45 g/mol
LogP2.23
Rot. Bonds11

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

(2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 93161323) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID93161323
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Name(2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCOCCN(Cc1cccs1)C[C@H](O)COCC(C)C
InChIInChI=1S/C15H27NO3S/c1-13(2)11-19-12-14(17)9-16(6-7-18-3)10-15-5-4-8-20-15/h4-5,8,13-14,17H,6-7,9-12H2,1-3H3/t14-/m0/s1
InChIKeyXZWYSLARRNWSNR-AWEZNQCLSA-N
XLogP2.23
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol (CID 93161323) is (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol is COCCN(Cc1cccs1)C[C@H](O)COCC(C)C.
What is the InChIKey of (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is XZWYSLARRNWSNR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H27NO3S/c1-13(2)11-19-12-14(17)9-16(6-7-18-3)10-15-5-4-8-20-15/h4-5,8,13-14,17H,6-7,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol?
(2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 301.45 g/mol, XLogP of 2.23, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 93161323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).