2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide

C13H26N2OS — CID 114232165

IUPAC2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide
SMILESCCNC(CSCC(=O)NC)C1CCCCC1
InChIInChI=1S/C13H26N2OS/c1-3-15-12(9-17-10-13(16)14-2)11-7-5-4-6-8-11/h11-12,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyZQEOLQCOYCKCGR-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.02
Rot. Bonds7

About 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide

2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide (PubChem CID 114232165) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide
PubChem CID114232165
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide
SMILESCCNC(CSCC(=O)NC)C1CCCCC1
InChIInChI=1S/C13H26N2OS/c1-3-15-12(9-17-10-13(16)14-2)11-7-5-4-6-8-11/h11-12,15H,3-10H2,1-2H3,(H,14,16)
InChIKeyZQEOLQCOYCKCGR-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide 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

tert-butyl 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanylacetate
CID 116687889
2-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]sulfanyl-N-propan-2-ylacetamide
CID 114234985
2-butylsulfanyl-1-cyclopentyl-N-ethylethanamine
CID 104755000
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
2-tert-butylsulfanyl-1-cyclopentyl-N-ethylethanamine
CID 65132569
1-cycloheptyl-2-cyclohexyl-N-ethylethanamine
CID 65399491
1,2-di(cycloheptyl)-N-ethylethanamine
CID 105027799
1-cyclopentyl-2-[(3,5-dimethylphenyl)methylsulfanyl]-N-ethylethanamine
CID 104755967
1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 104755169
1-cycloheptyl-N-ethyl-3-methylpentan-1-amine
CID 65399965
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
1-cyclohexyl-1-(ethylamino)propan-2-one
CID 123716073

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide?
The IUPAC name of 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide (CID 114232165) is 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide?
The canonical SMILES for 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide is CCNC(CSCC(=O)NC)C1CCCCC1.
What is the InChIKey of 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide?
The InChIKey is ZQEOLQCOYCKCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-3-15-12(9-17-10-13(16)14-2)11-7-5-4-6-8-11/h11-12,15H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide?
2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide has a molecular weight of 258.43 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexyl-2-(ethylamino)ethyl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 114232165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).