N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine

C13H22N2S2 — CID 64735197

IUPACN-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1Sc1nccs1
InChIInChI=1S/C13H22N2S2/c1-4-14-11-8-9(2)7-10(3)12(11)17-13-15-5-6-16-13/h5-6,9-12,14H,4,7-8H2,1-3H3
InChIKeyMTOROYFAYAYBSL-UHFFFAOYSA-N
MW270.47 g/mol
LogP3.65
Rot. Bonds4

About N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine

N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine (PubChem CID 64735197) has the molecular formula C13H22N2S2 and a molecular weight of 270.47 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
PubChem CID64735197
Molecular FormulaC13H22N2S2
Molecular Weight270.47 g/mol
Exact Mass270.12
IUPAC NameN-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1Sc1nccs1
InChIInChI=1S/C13H22N2S2/c1-4-14-11-8-9(2)7-10(3)12(11)17-13-15-5-6-16-13/h5-6,9-12,14H,4,7-8H2,1-3H3
InChIKeyMTOROYFAYAYBSL-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 53.65
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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Related Compounds

N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64735978
N-ethyl-3,5-dimethyl-2-thiophen-2-ylsulfanylcyclohexan-1-amine
CID 64736359
N-ethyl-3,5-dimethyl-2-pyrimidin-4-ylsulfanylcyclohexan-1-amine
CID 64737359
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734811
N-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64627513
N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64735986
4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64626698
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734796
3-[2-(ethylamino)-4,6-dimethylcyclohexyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 64737164
3-methyl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]cyclopentan-1-amine
CID 115684406
N-methyl-4-propan-2-yl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64626309
4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64627899

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine (CID 64735197) is N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine is CCNC1CC(C)CC(C)C1Sc1nccs1.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is MTOROYFAYAYBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S2/c1-4-14-11-8-9(2)7-10(3)12(11)17-13-15-5-6-16-13/h5-6,9-12,14H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 270.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 64735197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).