trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol

C12H19NOS — CID 102731894

IUPACtrans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol
SMILESCN(Cc1ccsc1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H19NOS/c1-13(8-10-6-7-15-9-10)11-4-2-3-5-12(11)14/h6-7,9,11-12,14H,2-5,8H2,1H3/t11-,12-/m0/s1
InChIKeyJAGMRPBECQAPBJ-RYUDHWBXSA-N
MW225.36 g/mol
LogP2.48
Rot. Bonds3

About trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol

trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol (PubChem CID 102731894) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol
PubChem CID102731894
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Nametrans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol
SMILESCN(Cc1ccsc1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H19NOS/c1-13(8-10-6-7-15-9-10)11-4-2-3-5-12(11)14/h6-7,9,11-12,14H,2-5,8H2,1H3/t11-,12-/m0/s1
InChIKeyJAGMRPBECQAPBJ-RYUDHWBXSA-N
XLogP2.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol
CID 102636569
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol
CID 102734625
3-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzenecarboximidamide
CID 102632464
3-amino-2-cyclohexyl-1-methyl-1-(thiophen-3-ylmethyl)guanidine
CID 116513310
2-[(2-hydrazinyl-4-pyridinyl)methyl-methylamino]cyclohexan-1-ol
CID 102636890
3-[[(2-hydroxycyclopentyl)-methylamino]methyl]benzonitrile
CID 62967745
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79849446
2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 62615595
2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]cyclohexan-1-ol
CID 102631816

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol (CID 102731894) is trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol is CN(Cc1ccsc1)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol?
The InChIKey is JAGMRPBECQAPBJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H19NOS/c1-13(8-10-6-7-15-9-10)11-4-2-3-5-12(11)14/h6-7,9,11-12,14H,2-5,8H2,1H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol has a molecular weight of 225.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[methyl(thiophen-3-ylmethyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102731894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).