2-[[1-(disulfanyl)piperidin-4-yl]amino]ethanol

C7H16N2OS2 — CID 155223005

IUPAC2-[[1-(disulfanyl)piperidin-4-yl]amino]ethanol
SMILESOCCNC1CCN(SS)CC1
InChIInChI=1S/C7H16N2OS2/c10-6-3-8-7-1-4-9(12-11)5-2-7/h7-8,10-11H,1-6H2
InChIKeyWFKBEGFBYSJFJN-UHFFFAOYSA-N
MW208.35 g/mol
LogP0.53
Rot. Bonds4

About 2-[[1-(disulfanyl)piperidin-4-yl]amino]ethanol

2-[[1-(disulfanyl)piperidin-4-yl]amino]ethanol (PubChem CID 155223005) has the molecular formula C7H16N2OS2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-[[1-(disulfanyl)piperidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(disulfanyl)piperidin-4-yl]amino]ethanol
PubChem CID155223005
Molecular FormulaC7H16N2OS2
Molecular Weight208.35 g/mol
Exact Mass208.07
IUPAC Name2-[[1-(disulfanyl)piperidin-4-yl]amino]ethanol
SMILESOCCNC1CCN(SS)CC1
InChIInChI=1S/C7H16N2OS2/c10-6-3-8-7-1-4-9(12-11)5-2-7/h7-8,10-11H,1-6H2
InChIKeyWFKBEGFBYSJFJN-UHFFFAOYSA-N
XLogP0.53
TPSA35.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
CID 43774102
2-[(1-ethylazepan-4-yl)amino]ethanol
CID 65074439
2-[2-[(1-methylpiperidin-4-yl)amino]ethylamino]ethanol
CID 167265274
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438
2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]amino]ethanol
CID 147943395
6-[(1-methylpiperidin-4-yl)amino]hexan-1-ol
CID 115906765
2-[4-(propylamino)piperidin-1-yl]ethanol
CID 60818603
2-[[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]amino]ethanol
CID 117004407
4-[(1-propan-2-ylpiperidin-4-yl)amino]butan-1-ol
CID 106840759
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethanol
CID 166899340
2-[(4-propan-2-ylcycloheptyl)amino]ethanol
CID 65086684
2-[(1-ethylazetidin-3-yl)amino]ethanol
CID 126997572

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(disulfanyl)piperidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[1-(disulfanyl)piperidin-4-yl]amino]ethanol (CID 155223005) is 2-[[1-(disulfanyl)piperidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-(disulfanyl)piperidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[1-(disulfanyl)piperidin-4-yl]amino]ethanol is OCCNC1CCN(SS)CC1.
What is the InChIKey of 2-[[1-(disulfanyl)piperidin-4-yl]amino]ethanol?
The InChIKey is WFKBEGFBYSJFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS2/c10-6-3-8-7-1-4-9(12-11)5-2-7/h7-8,10-11H,1-6H2.
What are the key properties of 2-[[1-(disulfanyl)piperidin-4-yl]amino]ethanol?
2-[[1-(disulfanyl)piperidin-4-yl]amino]ethanol has a molecular weight of 208.35 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(disulfanyl)piperidin-4-yl]amino]ethanol is sourced from PubChem (CID 155223005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).