trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol

C10H19NOS — CID 104926602

IUPACtrans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NC1CCSC1
InChIInChI=1S/C10H19NOS/c12-10-4-2-1-3-9(10)11-8-5-6-13-7-8/h8-12H,1-7H2/t8?,9-,10-/m1/s1
InChIKeyXEIGWJGANGEUOR-VXRWAFEHSA-N
MW201.33 g/mol
LogP1.38
Rot. Bonds2

About trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol (PubChem CID 104926602) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol
PubChem CID104926602
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Nametrans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1NC1CCSC1
InChIInChI=1S/C10H19NOS/c12-10-4-2-1-3-9(10)11-8-5-6-13-7-8/h8-12H,1-7H2/t8?,9-,10-/m1/s1
InChIKeyXEIGWJGANGEUOR-VXRWAFEHSA-N
XLogP1.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol
CID 94887280
[2-(thiolan-3-ylamino)cyclohexyl]methanol
CID 103784945
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
N-(2-methylcyclopentyl)thiolan-3-amine
CID 63277405
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
trans-(1R,2R)-2-(cyclopropylamino)cyclopentan-1-ol
CID 92555045
3-(thiolan-3-ylamino)cyclohexan-1-ol
CID 43751170
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
trans-(1R,2R)-2-(cyclopent-3-en-1-ylamino)cyclohexan-1-ol
CID 102731668
N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine
CID 131110851
2-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107132036

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol (CID 104926602) is trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1NC1CCSC1.
What is the InChIKey of trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol?
The InChIKey is XEIGWJGANGEUOR-VXRWAFEHSA-N. The full InChI is InChI=1S/C10H19NOS/c12-10-4-2-1-3-9(10)11-8-5-6-13-7-8/h8-12H,1-7H2/t8?,9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol has a molecular weight of 201.33 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 104926602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).