3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide

C14H28N2S — CID 63863779

IUPAC3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide
SMILESCCC1CCCCC1N(CC)CC(C)C(N)=S
InChIInChI=1S/C14H28N2S/c1-4-12-8-6-7-9-13(12)16(5-2)10-11(3)14(15)17/h11-13H,4-10H2,1-3H3,(H2,15,17)
InChIKeyZBIGMFTXQMBILS-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.20
Rot. Bonds6

About 3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide

3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide (PubChem CID 63863779) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide
PubChem CID63863779
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide
SMILESCCC1CCCCC1N(CC)CC(C)C(N)=S
InChIInChI=1S/C14H28N2S/c1-4-12-8-6-7-9-13(12)16(5-2)10-11(3)14(15)17/h11-13H,4-10H2,1-3H3,(H2,15,17)
InChIKeyZBIGMFTXQMBILS-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[ethyl-(2-ethylcyclohexyl)amino]ethanol
CID 89249438
2-[ethyl-(2-ethylcyclohexyl)amino]acetonitrile
CID 63862674
2-N-ethyl-2-N-(2-methylpropyl)cyclooctane-1,2-diamine
CID 43273695
2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 116502185
3-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpropanethioamide
CID 64521353
2-N-ethyl-2-N-(2-methylbutyl)cyclooctane-1,2-diamine
CID 79477922
2-[ethyl(2-methylpropyl)amino]cyclododecan-1-ol
CID 63472662
3-[ethyl-(2-methoxycyclohexyl)amino]-2-methylpropanoic acid
CID 106874487
3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 43367909
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyloxane-2-carboxamide
CID 62213541
2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline
CID 63863049
2-[butyl-(2-ethylcyclohexyl)amino]ethanol
CID 63861495

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide?
The IUPAC name of 3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide (CID 63863779) is 3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide?
The canonical SMILES for 3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide is CCC1CCCCC1N(CC)CC(C)C(N)=S.
What is the InChIKey of 3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide?
The InChIKey is ZBIGMFTXQMBILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-4-12-8-6-7-9-13(12)16(5-2)10-11(3)14(15)17/h11-13H,4-10H2,1-3H3,(H2,15,17).
What are the key properties of 3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide?
3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide has a molecular weight of 256.46 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-ethylcyclohexyl)amino]-2-methylpropanethioamide is sourced from PubChem (CID 63863779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).