1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol

C10H21NOS — CID 115873551

IUPAC1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol
SMILESCCSCCN1CCCC(C)(O)C1
InChIInChI=1S/C10H21NOS/c1-3-13-8-7-11-6-4-5-10(2,12)9-11/h12H,3-9H2,1-2H3
InChIKeyFABZHOSOLNCBAG-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.59
Rot. Bonds4

About 1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol

1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol (PubChem CID 115873551) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol
PubChem CID115873551
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol
SMILESCCSCCN1CCCC(C)(O)C1
InChIInChI=1S/C10H21NOS/c1-3-13-8-7-11-6-4-5-10(2,12)9-11/h12H,3-9H2,1-2H3
InChIKeyFABZHOSOLNCBAG-UHFFFAOYSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.59
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

1,4,8,11-tetrakis(2-ethylsulfanylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 70181811
1-(2-ethylsulfanylethyl)azepane
CID 177053539
1-(3-ethylsulfonylpropyl)-3-methylpiperidin-3-ol
CID 115873963
N-ethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 115874028
1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol
CID 115874131
3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidin-3-ol
CID 115873813
3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol
CID 115874156
1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol
CID 115873746
1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one
CID 113343955
1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol
CID 103071350
3-methyl-1-(2-phenylsulfanylethyl)pyrrolidin-3-ol
CID 103728813
1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115873988

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol?
The IUPAC name of 1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol (CID 115873551) is 1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol is CCSCCN1CCCC(C)(O)C1.
What is the InChIKey of 1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol?
The InChIKey is FABZHOSOLNCBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-13-8-7-11-6-4-5-10(2,12)9-11/h12H,3-9H2,1-2H3.
What are the key properties of 1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol?
1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol has a molecular weight of 203.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethyl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 115873551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).