trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol

C10H21NO2S — CID 106310200

IUPACtrans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol
SMILESOCCCSCCN[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H21NO2S/c12-6-2-7-14-8-5-11-9-3-1-4-10(9)13/h9-13H,1-8H2/t9-,10-/m0/s1
InChIKeyYIUAFKBEPGRZOV-UWVGGRQHSA-N
MW219.35 g/mol
LogP0.61
Rot. Bonds7

About trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol

trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol (PubChem CID 106310200) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol
PubChem CID106310200
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Nametrans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol
SMILESOCCCSCCN[C@H]1CCC[C@@H]1O
InChIInChI=1S/C10H21NO2S/c12-6-2-7-14-8-5-11-9-3-1-4-10(9)13/h9-13H,1-8H2/t9-,10-/m0/s1
InChIKeyYIUAFKBEPGRZOV-UWVGGRQHSA-N
XLogP0.61
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclohexan-1-ol
CID 106310392
3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol
CID 106309376
2-[2-(3-hydroxypropylsulfanyl)ethylamino]cycloheptane-1-carbonitrile
CID 114171871
trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol
CID 102733502
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
3-[2-[(2-pyrrolidin-2-ylcyclohexyl)amino]ethylsulfanyl]propan-1-ol
CID 106309489
3-[2-(piperidin-3-ylamino)ethylsulfanyl]propan-1-ol
CID 106309561
trans-(1R,2R)-2-(2-aminoethylamino)cyclopentan-1-ol
CID 55289731
trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 102731704
3-[2-(azepan-4-ylamino)ethylsulfanyl]propan-1-ol
CID 106309417
trans-(1S,2S)-2-(2-cyclobutylethylamino)cyclopentan-1-ol
CID 102734088
trans-(1R,2R)-2-(2-cyclopropylethylamino)cyclopentan-1-ol
CID 102733634

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol (CID 106310200) is trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol is OCCCSCCN[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol?
The InChIKey is YIUAFKBEPGRZOV-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H21NO2S/c12-6-2-7-14-8-5-11-9-3-1-4-10(9)13/h9-13H,1-8H2/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol?
trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol has a molecular weight of 219.35 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclopentan-1-ol is sourced from PubChem (CID 106310200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).