[1-(cyclopropylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol

C14H27NO2S — CID 79580966

IUPAC[1-(cyclopropylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol
SMILESCOCCSCCC1CCCC1(CO)NC1CC1
InChIInChI=1S/C14H27NO2S/c1-17-8-10-18-9-6-12-3-2-7-14(12,11-16)15-13-4-5-13/h12-13,15-16H,2-11H2,1H3
InChIKeyVUZGXTJILNTVNB-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.04
Rot. Bonds9

About [1-(cyclopropylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol

[1-(cyclopropylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol (PubChem CID 79580966) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is [1-(cyclopropylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol
PubChem CID79580966
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name[1-(cyclopropylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol
SMILESCOCCSCCC1CCCC1(CO)NC1CC1
InChIInChI=1S/C14H27NO2S/c1-17-8-10-18-9-6-12-3-2-7-14(12,11-16)15-13-4-5-13/h12-13,15-16H,2-11H2,1H3
InChIKeyVUZGXTJILNTVNB-UHFFFAOYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol (CID 79580966) is [1-(cyclopropylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol is COCCSCCC1CCCC1(CO)NC1CC1.
What is the InChIKey of [1-(cyclopropylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol?
The InChIKey is VUZGXTJILNTVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-17-8-10-18-9-6-12-3-2-7-14(12,11-16)15-13-4-5-13/h12-13,15-16H,2-11H2,1H3.
What are the key properties of [1-(cyclopropylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol?
[1-(cyclopropylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol has a molecular weight of 273.44 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-2-[2-(2-methoxyethylsulfanyl)ethyl]cyclopentyl]methanol is sourced from PubChem (CID 79580966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).