[3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol

C16H25NO2S — CID 79646579

IUPAC[3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCOc1ccc(SC2CCC(CO)(NC(C)C)C2)cc1
InChIInChI=1S/C16H25NO2S/c1-12(2)17-16(11-18)9-8-15(10-16)20-14-6-4-13(19-3)5-7-14/h4-7,12,15,17-18H,8-11H2,1-3H3
InChIKeyFMQYGMZQVKJXSP-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.07
Rot. Bonds6

About [3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol

[3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol (PubChem CID 79646579) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
PubChem CID79646579
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name[3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
SMILESCOc1ccc(SC2CCC(CO)(NC(C)C)C2)cc1
InChIInChI=1S/C16H25NO2S/c1-12(2)17-16(11-18)9-8-15(10-16)20-14-6-4-13(19-3)5-7-14/h4-7,12,15,17-18H,8-11H2,1-3H3
InChIKeyFMQYGMZQVKJXSP-UHFFFAOYSA-N
XLogP3.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-chlorophenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645559
[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79638793
3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79654085
[3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645524
[1-(propan-2-ylamino)-3-thiophen-2-ylsulfanylcyclohexyl]methanol
CID 79640772
[3-(2,5-dimethylpyrazol-3-yl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645806
[3-butan-2-ylsulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79646598
2-[4-[3-(hydroxymethyl)-3-(propan-2-ylamino)cyclopentyl]oxyphenyl]ethanol
CID 107710114
1-cyclohexylsulfanyl-4-methoxybenzene
CID 13011159
[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640901
3-(4-methoxyphenyl)sulfanyl-1-(methylamino)cyclopentane-1-carbonitrile
CID 79649672
3-(4-methoxyphenyl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile
CID 79628124

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol (CID 79646579) is [3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol is COc1ccc(SC2CCC(CO)(NC(C)C)C2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol?
The InChIKey is FMQYGMZQVKJXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-12(2)17-16(11-18)9-8-15(10-16)20-14-6-4-13(19-3)5-7-14/h4-7,12,15,17-18H,8-11H2,1-3H3.
What are the key properties of [3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol?
[3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol has a molecular weight of 295.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)sulfanyl-1-(propan-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 79646579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).