trans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol

C11H23NOS — CID 102731732

IUPACtrans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol
SMILESCCSCC(C)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H23NOS/c1-3-14-8-9(2)12-10-6-4-5-7-11(10)13/h9-13H,3-8H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyNUBJSDUQLSWYBP-FHZGLPGMSA-N
MW217.38 g/mol
LogP2.02
Rot. Bonds5

About trans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol (PubChem CID 102731732) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol
PubChem CID102731732
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Nametrans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol
SMILESCCSCC(C)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H23NOS/c1-3-14-8-9(2)12-10-6-4-5-7-11(10)13/h9-13H,3-8H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyNUBJSDUQLSWYBP-FHZGLPGMSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[[(2S)-butan-2-yl]amino]cyclohexan-1-ol
CID 124679613
N-(1-ethylsulfanylpropan-2-yl)-2-methylcyclopentan-1-amine
CID 115725602
trans-(1S,2S)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317537
trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol
CID 104926547
cis-(1S,2R)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317535
cis-(1R,2S)-2-[[(2S)-4-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124710665
trans-(1R,2R)-2-(4-methylhexan-2-ylamino)cyclohexan-1-ol
CID 102731345
trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol
CID 124618869
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951
trans-(1R,2R)-2-(4-hydroxypentan-2-ylamino)cyclopentan-1-ol
CID 102733975
cis-(1R,2S)-2-[[(2S,3S)-3-methylpentan-2-yl]amino]cyclohexan-1-ol
CID 124709342
2-(1-methoxypropan-2-ylamino)cyclopentan-1-ol
CID 60713672

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol (CID 102731732) is trans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol is CCSCC(C)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol?
The InChIKey is NUBJSDUQLSWYBP-FHZGLPGMSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-14-8-9(2)12-10-6-4-5-7-11(10)13/h9-13H,3-8H2,1-2H3/t9?,10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol has a molecular weight of 217.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1-ethylsulfanylpropan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 102731732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).