trans-(1R,2S)-2-amino-2-thiophen-2-ylcyclohexan-1-ol

C10H15NOS — CID 134843104

IUPACtrans-(1R,2S)-2-amino-2-thiophen-2-ylcyclohexan-1-ol
SMILESN[C@@]1(c2cccs2)CCCC[C@H]1O
InChIInChI=1S/C10H15NOS/c11-10(9-5-3-7-13-9)6-2-1-4-8(10)12/h3,5,7-8,12H,1-2,4,6,11H2/t8-,10+/m1/s1
InChIKeyLSSJIEBIFMJCAO-SCZZXKLOSA-N
MW197.30 g/mol
LogP1.84
Rot. Bonds1

About trans-(1R,2S)-2-amino-2-thiophen-2-ylcyclohexan-1-ol

trans-(1R,2S)-2-amino-2-thiophen-2-ylcyclohexan-1-ol (PubChem CID 134843104) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is trans-(1R,2S)-2-amino-2-thiophen-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-amino-2-thiophen-2-ylcyclohexan-1-ol
PubChem CID134843104
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Nametrans-(1R,2S)-2-amino-2-thiophen-2-ylcyclohexan-1-ol
SMILESN[C@@]1(c2cccs2)CCCC[C@H]1O
InChIInChI=1S/C10H15NOS/c11-10(9-5-3-7-13-9)6-2-1-4-8(10)12/h3,5,7-8,12H,1-2,4,6,11H2/t8-,10+/m1/s1
InChIKeyLSSJIEBIFMJCAO-SCZZXKLOSA-N
XLogP1.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-amino-2-thiophen-2-ylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-2-amino-2-thiophen-2-ylcyclohexan-1-ol (CID 134843104) is trans-(1R,2S)-2-amino-2-thiophen-2-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-amino-2-thiophen-2-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-amino-2-thiophen-2-ylcyclohexan-1-ol is N[C@@]1(c2cccs2)CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2S)-2-amino-2-thiophen-2-ylcyclohexan-1-ol?
The InChIKey is LSSJIEBIFMJCAO-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H15NOS/c11-10(9-5-3-7-13-9)6-2-1-4-8(10)12/h3,5,7-8,12H,1-2,4,6,11H2/t8-,10+/m1/s1.
What are the key properties of trans-(1R,2S)-2-amino-2-thiophen-2-ylcyclohexan-1-ol?
trans-(1R,2S)-2-amino-2-thiophen-2-ylcyclohexan-1-ol has a molecular weight of 197.30 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-amino-2-thiophen-2-ylcyclohexan-1-ol is sourced from PubChem (CID 134843104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).