trans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol

C12H24N2OS — CID 106325588

IUPACtrans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1NCCN1CCSCC1
InChIInChI=1S/C12H24N2OS/c15-12-4-2-1-3-11(12)13-5-6-14-7-9-16-10-8-14/h11-13,15H,1-10H2/t11-,12-/m0/s1
InChIKeyLBDKLLRVNFCCRM-RYUDHWBXSA-N
MW244.40 g/mol
LogP0.93
Rot. Bonds4

About trans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol

trans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol (PubChem CID 106325588) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol
PubChem CID106325588
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Nametrans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1NCCN1CCSCC1
InChIInChI=1S/C12H24N2OS/c15-12-4-2-1-3-11(12)13-5-6-14-7-9-16-10-8-14/h11-13,15H,1-10H2/t11-,12-/m0/s1
InChIKeyLBDKLLRVNFCCRM-RYUDHWBXSA-N
XLogP0.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol (CID 106325588) is trans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1NCCN1CCSCC1.
What is the InChIKey of trans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol?
The InChIKey is LBDKLLRVNFCCRM-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H24N2OS/c15-12-4-2-1-3-11(12)13-5-6-14-7-9-16-10-8-14/h11-13,15H,1-10H2/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol?
trans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol has a molecular weight of 244.40 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-thiomorpholin-4-ylethylamino)cyclohexan-1-ol is sourced from PubChem (CID 106325588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).