3-(3-methylbutoxy)pentanethioamide

C10H21NOS — CID 43368520

IUPAC3-(3-methylbutoxy)pentanethioamide
SMILESCCC(CC(N)=S)OCCC(C)C
InChIInChI=1S/C10H21NOS/c1-4-9(7-10(11)13)12-6-5-8(2)3/h8-9H,4-7H2,1-3H3,(H2,11,13)
InChIKeyGFRATSKDAYOMEJ-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.50
Rot. Bonds7

About 3-(3-methylbutoxy)pentanethioamide

3-(3-methylbutoxy)pentanethioamide (PubChem CID 43368520) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(3-methylbutoxy)pentanethioamide.

Molecular Properties

Compound Name3-(3-methylbutoxy)pentanethioamide
PubChem CID43368520
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(3-methylbutoxy)pentanethioamide
SMILESCCC(CC(N)=S)OCCC(C)C
InChIInChI=1S/C10H21NOS/c1-4-9(7-10(11)13)12-6-5-8(2)3/h8-9H,4-7H2,1-3H3,(H2,11,13)
InChIKeyGFRATSKDAYOMEJ-UHFFFAOYSA-N
XLogP2.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutoxy)pentanethioamide?
The IUPAC name of 3-(3-methylbutoxy)pentanethioamide (CID 43368520) is 3-(3-methylbutoxy)pentanethioamide.
What is the SMILES notation for 3-(3-methylbutoxy)pentanethioamide?
The canonical SMILES for 3-(3-methylbutoxy)pentanethioamide is CCC(CC(N)=S)OCCC(C)C.
What is the InChIKey of 3-(3-methylbutoxy)pentanethioamide?
The InChIKey is GFRATSKDAYOMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-4-9(7-10(11)13)12-6-5-8(2)3/h8-9H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of 3-(3-methylbutoxy)pentanethioamide?
3-(3-methylbutoxy)pentanethioamide has a molecular weight of 203.35 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutoxy)pentanethioamide is sourced from PubChem (CID 43368520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).