4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol

C10H23NOS — CID 82965257

IUPAC4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol
SMILESCOCCN(CCCCS)C(C)C
InChIInChI=1S/C10H23NOS/c1-10(2)11(7-8-12-3)6-4-5-9-13/h10,13H,4-9H2,1-3H3
InChIKeyKLCIVTHRKBGPAD-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.05
Rot. Bonds8

About 4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol

4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol (PubChem CID 82965257) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol.

Molecular Properties

Compound Name4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol
PubChem CID82965257
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol
SMILESCOCCN(CCCCS)C(C)C
InChIInChI=1S/C10H23NOS/c1-10(2)11(7-8-12-3)6-4-5-9-13/h10,13H,4-9H2,1-3H3
InChIKeyKLCIVTHRKBGPAD-UHFFFAOYSA-N
XLogP2.05
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 177187385
5-chloro-N-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 82960772
3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpropan-1-amine
CID 63389217
N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43137377
2-[4-methoxybutyl(propan-2-yl)amino]ethanol
CID 115685977
5-[2-methoxyethyl(propan-2-yl)amino]pentanethioamide
CID 82951100
3-[4-methoxybutyl(propan-2-yl)amino]propanoic acid
CID 104648419
N'-(2-methoxyethyl)-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 82951497
4-[2-methoxyethyl(propan-2-yl)amino]butan-2-ol
CID 82961213
N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-propan-2-ylethane-1,2-diamine
CID 82952747
6-[2-methoxyethyl(propan-2-yl)amino]hexanehydrazide
CID 82965230
5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 82951838

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol?
The IUPAC name of 4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol (CID 82965257) is 4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol.
What is the SMILES notation for 4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol?
The canonical SMILES for 4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol is COCCN(CCCCS)C(C)C.
What is the InChIKey of 4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol?
The InChIKey is KLCIVTHRKBGPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-10(2)11(7-8-12-3)6-4-5-9-13/h10,13H,4-9H2,1-3H3.
What are the key properties of 4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol?
4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol has a molecular weight of 205.37 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(propan-2-yl)amino]butane-1-thiol is sourced from PubChem (CID 82965257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).