[3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol

C15H27NOS — CID 79645555

IUPAC[3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol
SMILESOCC1(NC2CC2)CCC(SCC2CCCC2)C1
InChIInChI=1S/C15H27NOS/c17-11-15(16-13-5-6-13)8-7-14(9-15)18-10-12-3-1-2-4-12/h12-14,16-17H,1-11H2
InChIKeyWIFZJBBRARZBJB-UHFFFAOYSA-N
MW269.45 g/mol
LogP2.95
Rot. Bonds6

About [3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol

[3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol (PubChem CID 79645555) has the molecular formula C15H27NOS and a molecular weight of 269.45 g/mol. Its IUPAC name is [3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol
PubChem CID79645555
Molecular FormulaC15H27NOS
Molecular Weight269.45 g/mol
Exact Mass269.18
IUPAC Name[3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol
SMILESOCC1(NC2CC2)CCC(SCC2CCCC2)C1
InChIInChI=1S/C15H27NOS/c17-11-15(16-13-5-6-13)8-7-14(9-15)18-10-12-3-1-2-4-12/h12-14,16-17H,1-11H2
InChIKeyWIFZJBBRARZBJB-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol?
The IUPAC name of [3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol (CID 79645555) is [3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol?
The canonical SMILES for [3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol is OCC1(NC2CC2)CCC(SCC2CCCC2)C1.
What is the InChIKey of [3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol?
The InChIKey is WIFZJBBRARZBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOS/c17-11-15(16-13-5-6-13)8-7-14(9-15)18-10-12-3-1-2-4-12/h12-14,16-17H,1-11H2.
What are the key properties of [3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol?
[3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol has a molecular weight of 269.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentyl]methanol is sourced from PubChem (CID 79645555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).