trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol

C11H21NOS — CID 94887280

IUPACtrans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N[C@@H]1CCCSC1
InChIInChI=1S/C11H21NOS/c13-11-6-2-1-5-10(11)12-9-4-3-7-14-8-9/h9-13H,1-8H2/t9-,10+,11+/m1/s1
InChIKeyBGPIKMVIQIYAJY-VWYCJHECSA-N
MW215.36 g/mol
LogP1.78
Rot. Bonds2

About trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol

trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol (PubChem CID 94887280) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol
PubChem CID94887280
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Nametrans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1N[C@@H]1CCCSC1
InChIInChI=1S/C11H21NOS/c13-11-6-2-1-5-10(11)12-9-4-3-7-14-8-9/h9-13H,1-8H2/t9-,10+,11+/m1/s1
InChIKeyBGPIKMVIQIYAJY-VWYCJHECSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(thiolan-3-ylamino)cyclohexan-1-ol
CID 104926602
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
(3R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]thian-3-amine
CID 94885711
trans-(1R,2R)-2-(cyclopropylamino)cyclopentan-1-ol
CID 92555045
N-(2-ethylcyclopentyl)thian-3-amine
CID 115726681
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-(2,3-dimethylcyclobutyl)thian-3-amine
CID 130621412
trans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol
CID 131223427
[2-(thiolan-3-ylamino)cyclohexyl]methanol
CID 103784945

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol (CID 94887280) is trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1N[C@@H]1CCCSC1.
What is the InChIKey of trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol?
The InChIKey is BGPIKMVIQIYAJY-VWYCJHECSA-N. The full InChI is InChI=1S/C11H21NOS/c13-11-6-2-1-5-10(11)12-9-4-3-7-14-8-9/h9-13H,1-8H2/t9-,10+,11+/m1/s1.
What are the key properties of trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol has a molecular weight of 215.36 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 94887280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).