trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol

C11H23NOS — CID 102731680

IUPACtrans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol
SMILESCSC(C)(C)CN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H23NOS/c1-11(2,14-3)8-12-9-6-4-5-7-10(9)13/h9-10,12-13H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeySSFQFLAXPIJSDH-NXEZZACHSA-N
MW217.38 g/mol
LogP2.02
Rot. Bonds4

About trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol

trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol (PubChem CID 102731680) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol
PubChem CID102731680
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Nametrans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol
SMILESCSC(C)(C)CN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C11H23NOS/c1-11(2,14-3)8-12-9-6-4-5-7-10(9)13/h9-10,12-13H,4-8H2,1-3H3/t9-,10-/m1/s1
InChIKeySSFQFLAXPIJSDH-NXEZZACHSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

2-(2,2-dimethylpropylamino)cyclopentan-1-ol
CID 61166650
trans-(1S,2S)-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol
CID 106246971
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]cyclopentan-1-ol
CID 106247252
2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
CID 65111156
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)cyclopentan-1-amine
CID 115726067
trans-(1R,2R)-2-[(2-hydroxy-2-methylpentyl)amino]cyclohexan-1-ol
CID 106293057
trans-(1S,2S)-2-[(2-ethoxy-2-methylpropyl)amino]cyclohexan-1-ol
CID 102731780
2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol
CID 106147285
2-(3,3-dimethylbutylamino)cyclohexan-1-ol
CID 62359482
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol (CID 102731680) is trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol is CSC(C)(C)CN[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol?
The InChIKey is SSFQFLAXPIJSDH-NXEZZACHSA-N. The full InChI is InChI=1S/C11H23NOS/c1-11(2,14-3)8-12-9-6-4-5-7-10(9)13/h9-10,12-13H,4-8H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol has a molecular weight of 217.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2-methyl-2-methylsulfanylpropyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102731680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).