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

C14H24N2S2 — CID 64627899

IUPAC4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCCNC1CCC(C)(C)CC1Sc1nccs1
InChIInChI=1S/C14H24N2S2/c1-4-7-15-11-5-6-14(2,3)10-12(11)18-13-16-8-9-17-13/h8-9,11-12,15H,4-7,10H2,1-3H3
InChIKeyKJJVBHIGDZPZDX-UHFFFAOYSA-N
MW284.49 g/mol
LogP4.18
Rot. Bonds5

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

4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine (PubChem CID 64627899) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is 4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
PubChem CID64627899
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC Name4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCCNC1CCC(C)(C)CC1Sc1nccs1
InChIInChI=1S/C14H24N2S2/c1-4-7-15-11-5-6-14(2,3)10-12(11)18-13-16-8-9-17-13/h8-9,11-12,15H,4-7,10H2,1-3H3
InChIKeyKJJVBHIGDZPZDX-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.18
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

4,4-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64627103
2-(2-bromophenyl)sulfanyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64614754
N-ethyl-4,4-dimethyl-2-pyrimidin-2-ylsulfanylcyclohexan-1-amine
CID 64647668
4,4-dimethyl-2-(2-methylsulfonylethylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611268
1-(propylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclopentane-1-carboxylic acid
CID 79654184
2-(2-methoxyethylsulfanyl)-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64609722
2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81308091
4-ethyl-N-methyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64626698
N-ethyl-4-phenyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64627513
6-methoxy-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 79369397
4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 106496824
N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine
CID 64648022

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine (CID 64627899) is 4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine is CCCNC1CCC(C)(C)CC1Sc1nccs1.
What is the InChIKey of 4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is KJJVBHIGDZPZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S2/c1-4-7-15-11-5-6-14(2,3)10-12(11)18-13-16-8-9-17-13/h8-9,11-12,15H,4-7,10H2,1-3H3.
What are the key properties of 4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine?
4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-propyl-2-(1,3-thiazol-2-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 64627899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).