3-(2-butoxyethoxy)-2-methylpropanethioamide

C10H21NO2S — CID 43175344

IUPAC3-(2-butoxyethoxy)-2-methylpropanethioamide
SMILESCCCCOCCOCC(C)C(N)=S
InChIInChI=1S/C10H21NO2S/c1-3-4-5-12-6-7-13-8-9(2)10(11)14/h9H,3-8H2,1-2H3,(H2,11,14)
InChIKeyKILOAKRMVLJYKP-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.74
Rot. Bonds9

About 3-(2-butoxyethoxy)-2-methylpropanethioamide

3-(2-butoxyethoxy)-2-methylpropanethioamide (PubChem CID 43175344) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-2-methylpropanethioamide.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-2-methylpropanethioamide
PubChem CID43175344
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name3-(2-butoxyethoxy)-2-methylpropanethioamide
SMILESCCCCOCCOCC(C)C(N)=S
InChIInChI=1S/C10H21NO2S/c1-3-4-5-12-6-7-13-8-9(2)10(11)14/h9H,3-8H2,1-2H3,(H2,11,14)
InChIKeyKILOAKRMVLJYKP-UHFFFAOYSA-N
XLogP1.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-butoxyethoxy)-2-methylpropanoate
CID 115002806
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propanethioamide
CID 104561989
3-(2-butoxyethoxy)-2-methylpropanoic acid
CID 43537971
(2R)-1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-amine
CID 104560995
1-(2-butoxyethoxy)propan-2-amine
CID 43127528
3-(2-ethylhexoxy)-2-methylpropanethioamide
CID 43175349
methyl (2R)-3-butoxy-2-methylpropanoate
CID 88918019
2-[2-(2-butoxyethoxy)ethoxy]ethane-1,1-diamine
CID 22901827
2-butoxyethanethioamide
CID 43267695
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-1-ol
CID 104567836
1-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]propan-2-ol
CID 104561134

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)-2-methylpropanethioamide?
The IUPAC name of 3-(2-butoxyethoxy)-2-methylpropanethioamide (CID 43175344) is 3-(2-butoxyethoxy)-2-methylpropanethioamide.
What is the SMILES notation for 3-(2-butoxyethoxy)-2-methylpropanethioamide?
The canonical SMILES for 3-(2-butoxyethoxy)-2-methylpropanethioamide is CCCCOCCOCC(C)C(N)=S.
What is the InChIKey of 3-(2-butoxyethoxy)-2-methylpropanethioamide?
The InChIKey is KILOAKRMVLJYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-4-5-12-6-7-13-8-9(2)10(11)14/h9H,3-8H2,1-2H3,(H2,11,14).
What are the key properties of 3-(2-butoxyethoxy)-2-methylpropanethioamide?
3-(2-butoxyethoxy)-2-methylpropanethioamide has a molecular weight of 219.35 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-2-methylpropanethioamide is sourced from PubChem (CID 43175344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).