N-(2-sulfanylcyclooctyl)ethanethioamide

C10H19NS2 — CID 147323967

IUPACN-(2-sulfanylcyclooctyl)ethanethioamide
SMILESCC(=S)NC1CCCCCCC1S
InChIInChI=1S/C10H19NS2/c1-8(12)11-9-6-4-2-3-5-7-10(9)13/h9-10,13H,2-7H2,1H3,(H,11,12)
InChIKeyDAISTVDFEUAXKS-UHFFFAOYSA-N
MW217.40 g/mol
LogP2.94
Rot. Bonds1

About N-(2-sulfanylcyclooctyl)ethanethioamide

N-(2-sulfanylcyclooctyl)ethanethioamide (PubChem CID 147323967) has the molecular formula C10H19NS2 and a molecular weight of 217.40 g/mol. Its IUPAC name is N-(2-sulfanylcyclooctyl)ethanethioamide.

Molecular Properties

Compound NameN-(2-sulfanylcyclooctyl)ethanethioamide
PubChem CID147323967
Molecular FormulaC10H19NS2
Molecular Weight217.40 g/mol
Exact Mass217.10
IUPAC NameN-(2-sulfanylcyclooctyl)ethanethioamide
SMILESCC(=S)NC1CCCCCCC1S
InChIInChI=1S/C10H19NS2/c1-8(12)11-9-6-4-2-3-5-7-10(9)13/h9-10,13H,2-7H2,1H3,(H,11,12)
InChIKeyDAISTVDFEUAXKS-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)cycloheptane-1-thiol
CID 59815948
N-cyclohexylethanethioamide;ethane
CID 142134846
cis-(1R,2S)-cycloheptane-1,2-dithiol
CID 102083621
1-cyclohexylethanethione
CID 13294348
2-propan-2-ylcyclohexane-1-thiol
CID 44558420
cyclooctylcarbamodithioic acid
CID 150069729
1-cycloheptyl-3-(2-methylcyclohexyl)thiourea
CID 43384781
N-[(1R,2R)-2-iodocyclohexyl]propanethioamide
CID 134892002
N-[(1S,2S)-2-[[(1S,2S,4R)-4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl]selanyl]cyclooctyl]ethanethioamide
CID 102372561
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide
CID 171722262
1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 20652987

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylcyclooctyl)ethanethioamide?
The IUPAC name of N-(2-sulfanylcyclooctyl)ethanethioamide (CID 147323967) is N-(2-sulfanylcyclooctyl)ethanethioamide.
What is the SMILES notation for N-(2-sulfanylcyclooctyl)ethanethioamide?
The canonical SMILES for N-(2-sulfanylcyclooctyl)ethanethioamide is CC(=S)NC1CCCCCCC1S.
What is the InChIKey of N-(2-sulfanylcyclooctyl)ethanethioamide?
The InChIKey is DAISTVDFEUAXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS2/c1-8(12)11-9-6-4-2-3-5-7-10(9)13/h9-10,13H,2-7H2,1H3,(H,11,12).
What are the key properties of N-(2-sulfanylcyclooctyl)ethanethioamide?
N-(2-sulfanylcyclooctyl)ethanethioamide has a molecular weight of 217.40 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylcyclooctyl)ethanethioamide is sourced from PubChem (CID 147323967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).