(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-ol

C14H27F2NOS — CID 57283708

IUPAC(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-ol
SMILESCC(C)SCC(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C14H27F2NOS/c1-10(2)19-9-14(15,16)13(18)12(17)8-11-6-4-3-5-7-11/h10-13,18H,3-9,17H2,1-2H3/t12-,13+/m0/s1
InChIKeyHNHJLOCKWFSBLF-QWHCGFSZSA-N
MW295.44 g/mol
LogP3.42
Rot. Bonds7

About (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-ol

(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-ol (PubChem CID 57283708) has the molecular formula C14H27F2NOS and a molecular weight of 295.44 g/mol. Its IUPAC name is (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-ol
PubChem CID57283708
Molecular FormulaC14H27F2NOS
Molecular Weight295.44 g/mol
Exact Mass295.18
IUPAC Name(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-ol
SMILESCC(C)SCC(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C14H27F2NOS/c1-10(2)19-9-14(15,16)13(18)12(17)8-11-6-4-3-5-7-11/h10-13,18H,3-9,17H2,1-2H3/t12-,13+/m0/s1
InChIKeyHNHJLOCKWFSBLF-QWHCGFSZSA-N
XLogP3.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-3-amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol
CID 2315335
(2S,3R,5S)-2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
CID 18655656
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
ethyl (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoate
CID 22849150
ethyl (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoate;hydrochloride
CID 70060480
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
2-amino-1-cyclohexyl-6-methylheptane-3,4,5-triol
CID 22154938
(2S,3S,5R)-2-amino-1-cyclohexyl-6-methylheptane-3,5-diol
CID 10681709
(2R,3S,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol
CID 102069608
1-cyclohexyl-3,3-difluorobutan-2-ol
CID 131122835
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;hydrochloride
CID 18643834
(2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol;dihydrochloride
CID 18643833

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-ol?
The IUPAC name of (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-ol (CID 57283708) is (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-ol.
What is the SMILES notation for (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-ol?
The canonical SMILES for (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-ol is CC(C)SCC(F)(F)[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-ol?
The InChIKey is HNHJLOCKWFSBLF-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H27F2NOS/c1-10(2)19-9-14(15,16)13(18)12(17)8-11-6-4-3-5-7-11/h10-13,18H,3-9,17H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-ol?
(3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-ol has a molecular weight of 295.44 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-ol is sourced from PubChem (CID 57283708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).