2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid

C16H31NO2S — CID 62720486

IUPAC2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid
SMILESCCNC(C)(CCCCSC1CCCC(C)C1)C(=O)O
InChIInChI=1S/C16H31NO2S/c1-4-17-16(3,15(18)19)10-5-6-11-20-14-9-7-8-13(2)12-14/h13-14,17H,4-12H2,1-3H3,(H,18,19)
InChIKeySADMJHNXKHWUID-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.92
Rot. Bonds9

About 2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid

2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid (PubChem CID 62720486) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid
PubChem CID62720486
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid
SMILESCCNC(C)(CCCCSC1CCCC(C)C1)C(=O)O
InChIInChI=1S/C16H31NO2S/c1-4-17-16(3,15(18)19)10-5-6-11-20-14-9-7-8-13(2)12-14/h13-14,17H,4-12H2,1-3H3,(H,18,19)
InChIKeySADMJHNXKHWUID-UHFFFAOYSA-N
XLogP3.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid 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

2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexanoic acid
CID 63466029
2-(ethylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanoic acid
CID 55111510
2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide
CID 62720840
2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoic acid
CID 62721377
2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol
CID 64807359
6-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylhexanoic acid
CID 63115953
ethyl 5-cyclopentylsulfanyl-2-(ethylamino)-2-methylpentanoate
CID 63115258
2-methyl-5-(3-methylcyclohexyl)sulfanyl-2-(propylamino)pentanenitrile
CID 55111275
ethyl 2-methyl-4-(3-methylcyclohexyl)sulfanyl-2-(propan-2-ylamino)butanoate
CID 62723180
ethyl 2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylbutanoate
CID 62720491
5-(3-methylcyclohexyl)sulfanylpentan-1-amine
CID 62721729
N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62720477

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid?
The IUPAC name of 2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid (CID 62720486) is 2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid.
What is the SMILES notation for 2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid?
The canonical SMILES for 2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid is CCNC(C)(CCCCSC1CCCC(C)C1)C(=O)O.
What is the InChIKey of 2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid?
The InChIKey is SADMJHNXKHWUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-4-17-16(3,15(18)19)10-5-6-11-20-14-9-7-8-13(2)12-14/h13-14,17H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid?
2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid has a molecular weight of 301.50 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-6-(3-methylcyclohexyl)sulfanylhexanoic acid is sourced from PubChem (CID 62720486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).