[2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol

C14H29NOS — CID 79582042

IUPAC[2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCSC(C)CC
InChIInChI=1S/C14H29NOS/c1-4-12(3)17-10-8-13-7-6-9-14(13,11-16)15-5-2/h12-13,15-16H,4-11H2,1-3H3
InChIKeyLGORCLQELQXCDD-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.05
Rot. Bonds8

About [2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol

[2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol (PubChem CID 79582042) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is [2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol
PubChem CID79582042
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name[2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol
SMILESCCNC1(CO)CCCC1CCSC(C)CC
InChIInChI=1S/C14H29NOS/c1-4-12(3)17-10-8-13-7-6-9-14(13,11-16)15-5-2/h12-13,15-16H,4-11H2,1-3H3
InChIKeyLGORCLQELQXCDD-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-2-(2-butan-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581045
[1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol
CID 79580965
[2-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethyl]-1-(ethylamino)cyclopentyl]methanol
CID 79571170
[2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79582041
[1-(ethylamino)-2-[2-(2-methoxyethoxy)ethyl]cyclopentyl]methanol
CID 79581609
[1-(ethylamino)-2-(2-pyridin-2-ylsulfanylethyl)cyclopentyl]methanol
CID 79581411
[2-(2-cyclohexyloxyethyl)-1-(ethylamino)cyclopentyl]methanol
CID 79581004
[1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79581796
[2-[2-(4,4-dimethylcyclohexyl)oxyethyl]-1-(ethylamino)cyclopentyl]methanol
CID 114342766
[2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
CID 79571749
[2-(2-cyclohexylsulfanylethyl)-1-(propylamino)cyclopentyl]methanol
CID 79580959
[2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
CID 79570944

Frequently Asked Questions

What is the IUPAC name of [2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol?
The IUPAC name of [2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol (CID 79582042) is [2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol?
The canonical SMILES for [2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol is CCNC1(CO)CCCC1CCSC(C)CC.
What is the InChIKey of [2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol?
The InChIKey is LGORCLQELQXCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-4-12(3)17-10-8-13-7-6-9-14(13,11-16)15-5-2/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of [2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol?
[2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol has a molecular weight of 259.46 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol is sourced from PubChem (CID 79582042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).