5-[(3-ethylsulfanylcyclopentyl)-methylamino]pentan-1-ol

C13H27NOS — CID 111490082

IUPAC5-[(3-ethylsulfanylcyclopentyl)-methylamino]pentan-1-ol
SMILESCCSC1CCC(N(C)CCCCCO)C1
InChIInChI=1S/C13H27NOS/c1-3-16-13-8-7-12(11-13)14(2)9-5-4-6-10-15/h12-13,15H,3-11H2,1-2H3
InChIKeyFYDWXJPQFCOPTQ-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.76
Rot. Bonds8

About 5-[(3-ethylsulfanylcyclopentyl)-methylamino]pentan-1-ol

5-[(3-ethylsulfanylcyclopentyl)-methylamino]pentan-1-ol (PubChem CID 111490082) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 5-[(3-ethylsulfanylcyclopentyl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(3-ethylsulfanylcyclopentyl)-methylamino]pentan-1-ol
PubChem CID111490082
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name5-[(3-ethylsulfanylcyclopentyl)-methylamino]pentan-1-ol
SMILESCCSC1CCC(N(C)CCCCCO)C1
InChIInChI=1S/C13H27NOS/c1-3-16-13-8-7-12(11-13)14(2)9-5-4-6-10-15/h12-13,15H,3-11H2,1-2H3
InChIKeyFYDWXJPQFCOPTQ-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[cyclopropyl(methyl)amino]hexan-1-ol
CID 103737798
5-[cyclopentyl(methyl)amino]pentan-1-ol
CID 62227665
6-[[4-(ethylamino)cyclohexyl]-methylamino]hexan-1-ol
CID 107701944
5-[(3-aminocyclobutyl)-methylamino]pentan-1-ol
CID 107207362
7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide
CID 119816970
4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol
CID 91251733
3-[methyl-(3-methylcyclohexyl)amino]propan-1-ol
CID 60969986
5-[methyl(oxan-3-yl)amino]pentan-1-ol
CID 107204072
4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol
CID 89249305
cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 96519480
2-[cyclopropyl(methyl)amino]ethanol;hydrochloride
CID 69009010
5-amino-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylbenzamide;hydrochloride
CID 120638288

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylsulfanylcyclopentyl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(3-ethylsulfanylcyclopentyl)-methylamino]pentan-1-ol (CID 111490082) is 5-[(3-ethylsulfanylcyclopentyl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(3-ethylsulfanylcyclopentyl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(3-ethylsulfanylcyclopentyl)-methylamino]pentan-1-ol is CCSC1CCC(N(C)CCCCCO)C1.
What is the InChIKey of 5-[(3-ethylsulfanylcyclopentyl)-methylamino]pentan-1-ol?
The InChIKey is FYDWXJPQFCOPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-3-16-13-8-7-12(11-13)14(2)9-5-4-6-10-15/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 5-[(3-ethylsulfanylcyclopentyl)-methylamino]pentan-1-ol?
5-[(3-ethylsulfanylcyclopentyl)-methylamino]pentan-1-ol has a molecular weight of 245.43 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylsulfanylcyclopentyl)-methylamino]pentan-1-ol is sourced from PubChem (CID 111490082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).