trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol

C11H23NOS — CID 102731704

IUPACtrans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol
SMILESCSCCCCN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H23NOS/c1-14-9-5-4-8-12-10-6-2-3-7-11(10)13/h10-13H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyVLTWWXDTQUSGGF-GHMZBOCLSA-N
MW217.38 g/mol
LogP2.02
Rot. Bonds6

About trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol (PubChem CID 102731704) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol
PubChem CID102731704
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Nametrans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol
SMILESCSCCCCN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H23NOS/c1-14-9-5-4-8-12-10-6-2-3-7-11(10)13/h10-13H,2-9H2,1H3/t10-,11-/m1/s1
InChIKeyVLTWWXDTQUSGGF-GHMZBOCLSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-(3-methylsulfanylpropylamino)cyclopentan-1-ol
CID 102733502
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
2-(nonylamino)cyclohexan-1-ol
CID 62360571
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
3-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 103087761
trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731748
trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol
CID 102731534
trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol
CID 102733877
trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
CID 106131373
2-methyl-N-(3-methylsulfanylpropyl)cyclopentan-1-amine
CID 63278127
trans-(1S,2S)-2-(3-methylsulfonylpropylamino)cyclohexan-1-ol
CID 93451135
trans-(1S,2S)-2-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclohexan-1-ol
CID 106310392

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol (CID 102731704) is trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol is CSCCCCN[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol?
The InChIKey is VLTWWXDTQUSGGF-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H23NOS/c1-14-9-5-4-8-12-10-6-2-3-7-11(10)13/h10-13H,2-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol has a molecular weight of 217.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol is sourced from PubChem (CID 102731704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).