(2R)-2-(methyliminomethyl)-2-thiophen-2-ylcyclohexan-1-one

C12H15NOS — CID 156552529

IUPAC(2R)-2-(methyliminomethyl)-2-thiophen-2-ylcyclohexan-1-one
SMILESC/N=C/[C@]1(c2cccs2)CCCCC1=O
InChIInChI=1S/C12H15NOS/c1-13-9-12(11-6-4-8-15-11)7-3-2-5-10(12)14/h4,6,8-9H,2-3,5,7H2,1H3/b13-9+/t12-/m1/s1
InChIKeyKORCBNJIAHCIKL-AUWXEVLLSA-N
MW221.33 g/mol
LogP2.83
Rot. Bonds2

About (2R)-2-(methyliminomethyl)-2-thiophen-2-ylcyclohexan-1-one

(2R)-2-(methyliminomethyl)-2-thiophen-2-ylcyclohexan-1-one (PubChem CID 156552529) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is (2R)-2-(methyliminomethyl)-2-thiophen-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-(methyliminomethyl)-2-thiophen-2-ylcyclohexan-1-one
PubChem CID156552529
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name(2R)-2-(methyliminomethyl)-2-thiophen-2-ylcyclohexan-1-one
SMILESC/N=C/[C@]1(c2cccs2)CCCCC1=O
InChIInChI=1S/C12H15NOS/c1-13-9-12(11-6-4-8-15-11)7-3-2-5-10(12)14/h4,6,8-9H,2-3,5,7H2,1H3/b13-9+/t12-/m1/s1
InChIKeyKORCBNJIAHCIKL-AUWXEVLLSA-N
XLogP2.83
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methyliminomethyl)-2-thiophen-2-ylcyclohexan-1-one?
The IUPAC name of (2R)-2-(methyliminomethyl)-2-thiophen-2-ylcyclohexan-1-one (CID 156552529) is (2R)-2-(methyliminomethyl)-2-thiophen-2-ylcyclohexan-1-one.
What is the SMILES notation for (2R)-2-(methyliminomethyl)-2-thiophen-2-ylcyclohexan-1-one?
The canonical SMILES for (2R)-2-(methyliminomethyl)-2-thiophen-2-ylcyclohexan-1-one is C/N=C/[C@]1(c2cccs2)CCCCC1=O.
What is the InChIKey of (2R)-2-(methyliminomethyl)-2-thiophen-2-ylcyclohexan-1-one?
The InChIKey is KORCBNJIAHCIKL-AUWXEVLLSA-N. The full InChI is InChI=1S/C12H15NOS/c1-13-9-12(11-6-4-8-15-11)7-3-2-5-10(12)14/h4,6,8-9H,2-3,5,7H2,1H3/b13-9+/t12-/m1/s1.
What are the key properties of (2R)-2-(methyliminomethyl)-2-thiophen-2-ylcyclohexan-1-one?
(2R)-2-(methyliminomethyl)-2-thiophen-2-ylcyclohexan-1-one has a molecular weight of 221.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methyliminomethyl)-2-thiophen-2-ylcyclohexan-1-one is sourced from PubChem (CID 156552529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).