(1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol

C20H21NOS2 — CID 3033341

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IUPAC(1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol
SMILESC[C@H](NCC=C(c1ccsc1)c1ccsc1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H21NOS2/c1-15(20(22)16-5-3-2-4-6-16)21-10-7-19(17-8-11-23-13-17)18-9-12-24-14-18/h2-9,11-15,20-22H,10H2,1H3/t15-,20-/m0/s1
InChIKeyJQSHEDRVRBSFCZ-YWZLYKJASA-N
MW355.53 g/mol
LogP4.95
Rot. Bonds7

About (1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol

(1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol (PubChem CID 3033341) has the molecular formula C20H21NOS2 and a molecular weight of 355.53 g/mol. Its IUPAC name is (1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol
PubChem CID3033341
Molecular FormulaC20H21NOS2
Molecular Weight355.53 g/mol
Exact Mass355.11
IUPAC Name(1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol
SMILESC[C@H](NCC=C(c1ccsc1)c1ccsc1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H21NOS2/c1-15(20(22)16-5-3-2-4-6-16)21-10-7-19(17-8-11-23-13-17)18-9-12-24-14-18/h2-9,11-15,20-22H,10H2,1H3/t15-,20-/m0/s1
InChIKeyJQSHEDRVRBSFCZ-YWZLYKJASA-N
XLogP4.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol (CID 3033341) is (1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol is C[C@H](NCC=C(c1ccsc1)c1ccsc1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol?
The InChIKey is JQSHEDRVRBSFCZ-YWZLYKJASA-N. The full InChI is InChI=1S/C20H21NOS2/c1-15(20(22)16-5-3-2-4-6-16)21-10-7-19(17-8-11-23-13-17)18-9-12-24-14-18/h2-9,11-15,20-22H,10H2,1H3/t15-,20-/m0/s1.
What are the key properties of (1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol?
(1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol has a molecular weight of 355.53 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 3033341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).