[3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol

C13H27NOS — CID 79644828

IUPAC[3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol
SMILESCCCCSC1CCC(CO)(NCCC)C1
InChIInChI=1S/C13H27NOS/c1-3-5-9-16-12-6-7-13(10-12,11-15)14-8-4-2/h12,14-15H,3-11H2,1-2H3
InChIKeyFSSUDFMFHCLHDO-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.80
Rot. Bonds8

About [3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol

[3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol (PubChem CID 79644828) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is [3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol
PubChem CID79644828
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name[3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol
SMILESCCCCSC1CCC(CO)(NCCC)C1
InChIInChI=1S/C13H27NOS/c1-3-5-9-16-12-6-7-13(10-12,11-15)14-8-4-2/h12,14-15H,3-11H2,1-2H3
InChIKeyFSSUDFMFHCLHDO-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.80
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

[3-(3-methylbutylsulfanyl)-1-(propylamino)cyclopentyl]methanol
CID 107764868
[1-(ethylamino)-3-pentylsulfanylcyclohexyl]methanol
CID 107764670
[1-(heptylamino)-4-methylcyclohexyl]methanol
CID 55086742
[4-methyl-1-(octylamino)cyclohexyl]methanol
CID 63476632
[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
CID 115384282
[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
CID 79644289
[3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol
CID 79633811
[3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79634231
[1-(ethylamino)-3-methylsulfanylcyclopentyl]methanol
CID 79646857
[1-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentyl]methanol
CID 79647829
[3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79647604
[3-(3-chlorophenyl)sulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79646307

Frequently Asked Questions

What is the IUPAC name of [3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol (CID 79644828) is [3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol is CCCCSC1CCC(CO)(NCCC)C1.
What is the InChIKey of [3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol?
The InChIKey is FSSUDFMFHCLHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-3-5-9-16-12-6-7-13(10-12,11-15)14-8-4-2/h12,14-15H,3-11H2,1-2H3.
What are the key properties of [3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol?
[3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol has a molecular weight of 245.43 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79644828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).