[1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol

C14H29NOS — CID 107764649

IUPAC[1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol
SMILESCCCCCSCCC1CCCC1(CO)NC
InChIInChI=1S/C14H29NOS/c1-3-4-5-10-17-11-8-13-7-6-9-14(13,12-16)15-2/h13,15-16H,3-12H2,1-2H3
InChIKeyUGCUCYASEDCUNG-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.05
Rot. Bonds9

About [1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol

[1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol (PubChem CID 107764649) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is [1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol
PubChem CID107764649
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name[1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol
SMILESCCCCCSCCC1CCCC1(CO)NC
InChIInChI=1S/C14H29NOS/c1-3-4-5-10-17-11-8-13-7-6-9-14(13,12-16)15-2/h13,15-16H,3-12H2,1-2H3
InChIKeyUGCUCYASEDCUNG-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-ethylsulfanylethyl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79582041
[1-(methylamino)-2-(2-propoxyethyl)cyclopentyl]methanol
CID 79581094
[1-(ethylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol
CID 79580965
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79582454
[1-(methylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentyl]methanol
CID 107764576
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79576244
[1-(methylamino)-2-(2-pentan-2-yloxyethyl)cyclopentyl]methanol
CID 102988215
1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide
CID 79587862
[2-(2-butan-2-ylsulfanylethyl)-1-(ethylamino)cyclopentyl]methanol
CID 79582042
[2-[2-(4,4-diethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentyl]methanol
CID 79573438
[1-(methylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentyl]methanol
CID 79582029
[2-[2-(3-chlorophenyl)sulfanylethyl]-1-(methylamino)cyclopentyl]methanol
CID 79582100

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol?
The IUPAC name of [1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol (CID 107764649) is [1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol.
What is the SMILES notation for [1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol?
The canonical SMILES for [1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol is CCCCCSCCC1CCCC1(CO)NC.
What is the InChIKey of [1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol?
The InChIKey is UGCUCYASEDCUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-3-4-5-10-17-11-8-13-7-6-9-14(13,12-16)15-2/h13,15-16H,3-12H2,1-2H3.
What are the key properties of [1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol?
[1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol has a molecular weight of 259.46 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-2-(2-pentylsulfanylethyl)cyclopentyl]methanol is sourced from PubChem (CID 107764649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).