4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine

C11H18N2S2 — CID 64627103

IUPAC4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCC1(C)CCC(N)C(Sc2nccs2)C1
InChIInChI=1S/C11H18N2S2/c1-11(2)4-3-8(12)9(7-11)15-10-13-5-6-14-10/h5-6,8-9H,3-4,7,12H2,1-2H3
InChIKeyVDFJXWLQMWWSCA-UHFFFAOYSA-N
MW242.41 g/mol
LogP3.14
Rot. Bonds2

About 4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine

4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine (PubChem CID 64627103) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
PubChem CID64627103
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCC1(C)CCC(N)C(Sc2nccs2)C1
InChIInChI=1S/C11H18N2S2/c1-11(2)4-3-8(12)9(7-11)15-10-13-5-6-14-10/h5-6,8-9H,3-4,7,12H2,1-2H3
InChIKeyVDFJXWLQMWWSCA-UHFFFAOYSA-N
XLogP3.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine (CID 64627103) is 4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine is CC1(C)CCC(N)C(Sc2nccs2)C1.
What is the InChIKey of 4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is VDFJXWLQMWWSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-11(2)4-3-8(12)9(7-11)15-10-13-5-6-14-10/h5-6,8-9H,3-4,7,12H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 64627103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).