(2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol

C20H25F2NOS — CID 143107861

IUPAC(2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
SMILESO[C@@H](CCc1cc(F)cc(F)c1)CNC1(c2ccsc2)CCCCC1
InChIInChI=1S/C20H25F2NOS/c21-17-10-15(11-18(22)12-17)4-5-19(24)13-23-20(7-2-1-3-8-20)16-6-9-25-14-16/h6,9-12,14,19,23-24H,1-5,7-8,13H2/t19-/m0/s1
InChIKeyRARADPRKKCMTER-IBGZPJMESA-N
MW365.49 g/mol
LogP4.77
Rot. Bonds7

About (2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol

(2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol (PubChem CID 143107861) has the molecular formula C20H25F2NOS and a molecular weight of 365.49 g/mol. Its IUPAC name is (2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
PubChem CID143107861
Molecular FormulaC20H25F2NOS
Molecular Weight365.49 g/mol
Exact Mass365.16
IUPAC Name(2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol
SMILESO[C@@H](CCc1cc(F)cc(F)c1)CNC1(c2ccsc2)CCCCC1
InChIInChI=1S/C20H25F2NOS/c21-17-10-15(11-18(22)12-17)4-5-19(24)13-23-20(7-2-1-3-8-20)16-6-9-25-14-16/h6,9-12,14,19,23-24H,1-5,7-8,13H2/t19-/m0/s1
InChIKeyRARADPRKKCMTER-IBGZPJMESA-N
XLogP4.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol?
The IUPAC name of (2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol (CID 143107861) is (2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol.
What is the SMILES notation for (2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol?
The canonical SMILES for (2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol is O[C@@H](CCc1cc(F)cc(F)c1)CNC1(c2ccsc2)CCCCC1.
What is the InChIKey of (2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol?
The InChIKey is RARADPRKKCMTER-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25F2NOS/c21-17-10-15(11-18(22)12-17)4-5-19(24)13-23-20(7-2-1-3-8-20)16-6-9-25-14-16/h6,9-12,14,19,23-24H,1-5,7-8,13H2/t19-/m0/s1.
What are the key properties of (2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol?
(2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol has a molecular weight of 365.49 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3,5-difluorophenyl)-1-[(1-thiophen-3-ylcyclohexyl)amino]butan-2-ol is sourced from PubChem (CID 143107861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).