(2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol

C16H23NO3S — CID 93162553

IUPAC(2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESCCCN(Cc1ccsc1)C[C@@H](O)COCc1ccco1
InChIInChI=1S/C16H23NO3S/c1-2-6-17(9-14-5-8-21-13-14)10-15(18)11-19-12-16-4-3-7-20-16/h3-5,7-8,13,15,18H,2,6,9-12H2,1H3/t15-/m1/s1
InChIKeyJRHPDTIFWBGBIH-OAHLLOKOSA-N
MW309.43 g/mol
LogP3.13
Rot. Bonds10

About (2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol

(2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol (PubChem CID 93162553) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is (2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
PubChem CID93162553
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name(2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
SMILESCCCN(Cc1ccsc1)C[C@@H](O)COCc1ccco1
InChIInChI=1S/C16H23NO3S/c1-2-6-17(9-14-5-8-21-13-14)10-15(18)11-19-12-16-4-3-7-20-16/h3-5,7-8,13,15,18H,2,6,9-12H2,1H3/t15-/m1/s1
InChIKeyJRHPDTIFWBGBIH-OAHLLOKOSA-N
XLogP3.13
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol
CID 93163051
1-phenylmethoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 24713472
1-(furan-2-ylmethoxy)-3-[(3-methoxyphenyl)methyl-propylamino]propan-2-ol
CID 24714073
(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol
CID 93162765
(2S)-1-[propyl(thiophen-3-ylmethyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 93162562
1-prop-2-enoxy-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 24713676
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
[(2R)-3-[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]-2-hydroxypropyl] butanoate
CID 93162504
1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682208
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93146968
1-(furan-2-ylmethoxy)-3-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]propan-2-ol
CID 24713597
1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 46006706

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The IUPAC name of (2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol (CID 93162553) is (2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol is CCCN(Cc1ccsc1)C[C@@H](O)COCc1ccco1.
What is the InChIKey of (2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol?
The InChIKey is JRHPDTIFWBGBIH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-2-6-17(9-14-5-8-21-13-14)10-15(18)11-19-12-16-4-3-7-20-16/h3-5,7-8,13,15,18H,2,6,9-12H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol?
(2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol has a molecular weight of 309.43 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(furan-2-ylmethoxy)-3-[propyl(thiophen-3-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 93162553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).