3-(2-methylbutan-2-yloxy)pentanethioamide

C10H21NOS — CID 43368878

IUPAC3-(2-methylbutan-2-yloxy)pentanethioamide
SMILESCCC(CC(N)=S)OC(C)(C)CC
InChIInChI=1S/C10H21NOS/c1-5-8(7-9(11)13)12-10(3,4)6-2/h8H,5-7H2,1-4H3,(H2,11,13)
InChIKeyZMUNAJKQCQIKNT-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.65
Rot. Bonds6

About 3-(2-methylbutan-2-yloxy)pentanethioamide

3-(2-methylbutan-2-yloxy)pentanethioamide (PubChem CID 43368878) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yloxy)pentanethioamide.

Molecular Properties

Compound Name3-(2-methylbutan-2-yloxy)pentanethioamide
PubChem CID43368878
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(2-methylbutan-2-yloxy)pentanethioamide
SMILESCCC(CC(N)=S)OC(C)(C)CC
InChIInChI=1S/C10H21NOS/c1-5-8(7-9(11)13)12-10(3,4)6-2/h8H,5-7H2,1-4H3,(H2,11,13)
InChIKeyZMUNAJKQCQIKNT-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-methylbutan-2-yloxy)pentanethioamide 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

3-ethoxypentanethioamide
CID 43175214
3-(3-tert-butylphenoxy)pentanethioamide
CID 43368943
3-ethylpentanethioamide
CID 82925647
4,7-bis(2-methylbutan-2-yloxy)decane
CID 171725381
3-(4-methylphenoxy)pentanethioamide
CID 43368539
1-(2-methylbutan-2-yloxy)ethanamine
CID 23371049
3-methylpentanethioamide
CID 54078997
4,4-dimethyl-2-(2-methylbutan-2-yloxy)hexan-1-amine
CID 129042330
N-methyl-2-(2-methylbutan-2-yloxy)pentan-1-amine
CID 83045176
2-methyl-2-[3-(2-methylbutan-2-yloxy)butan-2-yloxy]butane
CID 155274945
3-(4-propoxyphenoxy)pentanethioamide
CID 43368833
3-[(3-methoxy-3-methylbutyl)-methylamino]butanethioamide
CID 103033740

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutan-2-yloxy)pentanethioamide?
The IUPAC name of 3-(2-methylbutan-2-yloxy)pentanethioamide (CID 43368878) is 3-(2-methylbutan-2-yloxy)pentanethioamide.
What is the SMILES notation for 3-(2-methylbutan-2-yloxy)pentanethioamide?
The canonical SMILES for 3-(2-methylbutan-2-yloxy)pentanethioamide is CCC(CC(N)=S)OC(C)(C)CC.
What is the InChIKey of 3-(2-methylbutan-2-yloxy)pentanethioamide?
The InChIKey is ZMUNAJKQCQIKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-5-8(7-9(11)13)12-10(3,4)6-2/h8H,5-7H2,1-4H3,(H2,11,13).
What are the key properties of 3-(2-methylbutan-2-yloxy)pentanethioamide?
3-(2-methylbutan-2-yloxy)pentanethioamide has a molecular weight of 203.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutan-2-yloxy)pentanethioamide is sourced from PubChem (CID 43368878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).