1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol

C16H25NO2S — CID 111490306

IUPAC1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol
SMILESCSC1CCCC1N(C)CC(O)COc1ccccc1
InChIInChI=1S/C16H25NO2S/c1-17(15-9-6-10-16(15)20-2)11-13(18)12-19-14-7-4-3-5-8-14/h3-5,7-8,13,15-16,18H,6,9-12H2,1-2H3
InChIKeyUGSPHPMIFQPZBB-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.64
Rot. Bonds7

About 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol

1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol (PubChem CID 111490306) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol
PubChem CID111490306
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol
SMILESCSC1CCCC1N(C)CC(O)COc1ccccc1
InChIInChI=1S/C16H25NO2S/c1-17(15-9-6-10-16(15)20-2)11-13(18)12-19-14-7-4-3-5-8-14/h3-5,7-8,13,15-16,18H,6,9-12H2,1-2H3
InChIKeyUGSPHPMIFQPZBB-UHFFFAOYSA-N
XLogP2.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 111490299
1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol
CID 111106340
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
CID 10934135
(2S)-1-[cyclohexyl(methyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 8741472
1-[cyclohexyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 2919622
1-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]ethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
CID 4019354
3-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43288694
1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 3416827
(2S)-1-[4-[(2R)-2-hydroxy-3-(N-methylanilino)propoxy]phenoxy]-3-(N-methylanilino)propan-2-ol
CID 1232760
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol (CID 111490306) is 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol is CSC1CCCC1N(C)CC(O)COc1ccccc1.
What is the InChIKey of 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol?
The InChIKey is UGSPHPMIFQPZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-17(15-9-6-10-16(15)20-2)11-13(18)12-19-14-7-4-3-5-8-14/h3-5,7-8,13,15-16,18H,6,9-12H2,1-2H3.
What are the key properties of 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol?
1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol has a molecular weight of 295.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 111490306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).