4-(cyclopentylmethoxy)butanethioamide

C10H19NOS — CID 66323487

IUPAC4-(cyclopentylmethoxy)butanethioamide
SMILESNC(=S)CCCOCC1CCCC1
InChIInChI=1S/C10H19NOS/c11-10(13)6-3-7-12-8-9-4-1-2-5-9/h9H,1-8H2,(H2,11,13)
InChIKeyKMRZMUPRNZXFPY-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.26
Rot. Bonds6

About 4-(cyclopentylmethoxy)butanethioamide

4-(cyclopentylmethoxy)butanethioamide (PubChem CID 66323487) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)butanethioamide.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)butanethioamide
PubChem CID66323487
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name4-(cyclopentylmethoxy)butanethioamide
SMILESNC(=S)CCCOCC1CCCC1
InChIInChI=1S/C10H19NOS/c11-10(13)6-3-7-12-8-9-4-1-2-5-9/h9H,1-8H2,(H2,11,13)
InChIKeyKMRZMUPRNZXFPY-UHFFFAOYSA-N
XLogP2.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)butanethioamide?
The IUPAC name of 4-(cyclopentylmethoxy)butanethioamide (CID 66323487) is 4-(cyclopentylmethoxy)butanethioamide.
What is the SMILES notation for 4-(cyclopentylmethoxy)butanethioamide?
The canonical SMILES for 4-(cyclopentylmethoxy)butanethioamide is NC(=S)CCCOCC1CCCC1.
What is the InChIKey of 4-(cyclopentylmethoxy)butanethioamide?
The InChIKey is KMRZMUPRNZXFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c11-10(13)6-3-7-12-8-9-4-1-2-5-9/h9H,1-8H2,(H2,11,13).
What are the key properties of 4-(cyclopentylmethoxy)butanethioamide?
4-(cyclopentylmethoxy)butanethioamide has a molecular weight of 201.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)butanethioamide is sourced from PubChem (CID 66323487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).