(2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol

C15H27NO3S — CID 93161338

IUPAC(2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCCN(Cc1cccs1)C[C@@H](O)COC(C)C
InChIInChI=1S/C15H27NO3S/c1-13(2)19-12-14(17)10-16(7-5-8-18-3)11-15-6-4-9-20-15/h4,6,9,13-14,17H,5,7-8,10-12H2,1-3H3/t14-/m1/s1
InChIKeyOTSJDDYRYWTPBI-CQSZACIVSA-N
MW301.45 g/mol
LogP2.37
Rot. Bonds11

About (2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol

(2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 93161338) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is (2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID93161338
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Name(2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCCN(Cc1cccs1)C[C@@H](O)COC(C)C
InChIInChI=1S/C15H27NO3S/c1-13(2)19-12-14(17)10-16(7-5-8-18-3)11-15-6-4-9-20-15/h4,6,9,13-14,17H,5,7-8,10-12H2,1-3H3/t14-/m1/s1
InChIKeyOTSJDDYRYWTPBI-CQSZACIVSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161343
(2R)-1-propan-2-yloxy-3-[propyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 93161359
1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 24713399
(2R)-1-[3-methoxypropyl-[(5-methylthiophen-2-yl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93163531
1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]hex-5-en-2-ol
CID 24713400
1-[ethyl(thiophen-2-ylmethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991861
3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propane-1,2-diol
CID 46995993
(2R)-1-[methyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 129369879
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713119
1-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 46006985
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 61035306
(2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161589

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol (CID 93161338) is (2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol is COCCCN(Cc1cccs1)C[C@@H](O)COC(C)C.
What is the InChIKey of (2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is OTSJDDYRYWTPBI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H27NO3S/c1-13(2)19-12-14(17)10-16(7-5-8-18-3)11-15-6-4-9-20-15/h4,6,9,13-14,17H,5,7-8,10-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol?
(2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 301.45 g/mol, XLogP of 2.37, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-methoxypropyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 93161338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).