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

C18H25NOS — CID 93162453

IUPAC(2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-ol
SMILESCC(C)CN(Cc1ccsc1)C[C@@H](O)Cc1ccccc1
InChIInChI=1S/C18H25NOS/c1-15(2)11-19(12-17-8-9-21-14-17)13-18(20)10-16-6-4-3-5-7-16/h3-9,14-15,18,20H,10-13H2,1-2H3/t18-/m0/s1
InChIKeyCFPMQMHGTVRPME-SFHVURJKSA-N
MW303.47 g/mol
LogP3.81
Rot. Bonds8

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

(2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-ol (PubChem CID 93162453) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is (2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-ol
PubChem CID93162453
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name(2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-ol
SMILESCC(C)CN(Cc1ccsc1)C[C@@H](O)Cc1ccccc1
InChIInChI=1S/C18H25NOS/c1-15(2)11-19(12-17-8-9-21-14-17)13-18(20)10-16-6-4-3-5-7-16/h3-9,14-15,18,20H,10-13H2,1-2H3/t18-/m0/s1
InChIKeyCFPMQMHGTVRPME-SFHVURJKSA-N
XLogP3.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-ol?
The IUPAC name of (2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-ol (CID 93162453) is (2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-ol.
What is the SMILES notation for (2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-ol?
The canonical SMILES for (2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-ol is CC(C)CN(Cc1ccsc1)C[C@@H](O)Cc1ccccc1.
What is the InChIKey of (2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-ol?
The InChIKey is CFPMQMHGTVRPME-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25NOS/c1-15(2)11-19(12-17-8-9-21-14-17)13-18(20)10-16-6-4-3-5-7-16/h3-9,14-15,18,20H,10-13H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-ol?
(2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-ol has a molecular weight of 303.47 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 93162453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).