2-[2-(dimethylamino)ethyl]hexane-1-thiol

C10H23NS — CID 23362368

IUPAC2-[2-(dimethylamino)ethyl]hexane-1-thiol
SMILESCCCCC(CS)CCN(C)C
InChIInChI=1S/C10H23NS/c1-4-5-6-10(9-12)7-8-11(2)3/h10,12H,4-9H2,1-3H3
InChIKeyNVKWICAZADXLRP-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.67
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl]hexane-1-thiol

2-[2-(dimethylamino)ethyl]hexane-1-thiol (PubChem CID 23362368) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]hexane-1-thiol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]hexane-1-thiol
PubChem CID23362368
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name2-[2-(dimethylamino)ethyl]hexane-1-thiol
SMILESCCCCC(CS)CCN(C)C
InChIInChI=1S/C10H23NS/c1-4-5-6-10(9-12)7-8-11(2)3/h10,12H,4-9H2,1-3H3
InChIKeyNVKWICAZADXLRP-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-[2-(dimethylamino)ethyl]hexane-1-thiol 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-pentyloctane-1-thiol
CID 170312154
2-ethylhexane-1-thiol;molybdenum
CID 88652691
2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 59422065
N,N-dimethyl-4-pentyldecan-1-amine
CID 154963901
2-(aminomethyl)hexane-1-thiol;hydrochloride
CID 155665109
ethane;N,N,3,4-tetramethyloctan-1-amine
CID 144533444
20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride
CID 172995497
2-octyl-6-propylnonane-1,9-dithiol
CID 175780572
3-[(dibutylamino)methyl]heptane-1-thiol
CID 23362527
N-butyl-2-ethyl-N,N',N'-trimethylbutane-1,4-diamine
CID 171081221
2-[2-(diethylamino)ethyl]pentane-1-thiol
CID 23362439
tributyl-[3-(dimethylamino)propyl]phosphanium chloride
CID 19764961

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]hexane-1-thiol?
The IUPAC name of 2-[2-(dimethylamino)ethyl]hexane-1-thiol (CID 23362368) is 2-[2-(dimethylamino)ethyl]hexane-1-thiol.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]hexane-1-thiol?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]hexane-1-thiol is CCCCC(CS)CCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]hexane-1-thiol?
The InChIKey is NVKWICAZADXLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-4-5-6-10(9-12)7-8-11(2)3/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]hexane-1-thiol?
2-[2-(dimethylamino)ethyl]hexane-1-thiol has a molecular weight of 189.37 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]hexane-1-thiol is sourced from PubChem (CID 23362368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).