N-[3-(ethanethioylamino)propyl]ethanethioamide

C7H14N2S2 — CID 86234724

IUPACN-[3-(ethanethioylamino)propyl]ethanethioamide
SMILESCC(=S)NCCCNC(C)=S
InChIInChI=1S/C7H14N2S2/c1-6(10)8-4-3-5-9-7(2)11/h3-5H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyQJLZWHUTBOEXCX-UHFFFAOYSA-N
MW190.34 g/mol
LogP1.25
Rot. Bonds4

About N-[3-(ethanethioylamino)propyl]ethanethioamide

N-[3-(ethanethioylamino)propyl]ethanethioamide (PubChem CID 86234724) has the molecular formula C7H14N2S2 and a molecular weight of 190.34 g/mol. Its IUPAC name is N-[3-(ethanethioylamino)propyl]ethanethioamide.

Molecular Properties

Compound NameN-[3-(ethanethioylamino)propyl]ethanethioamide
PubChem CID86234724
Molecular FormulaC7H14N2S2
Molecular Weight190.34 g/mol
Exact Mass190.06
IUPAC NameN-[3-(ethanethioylamino)propyl]ethanethioamide
SMILESCC(=S)NCCCNC(C)=S
InChIInChI=1S/C7H14N2S2/c1-6(10)8-4-3-5-9-7(2)11/h3-5H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyQJLZWHUTBOEXCX-UHFFFAOYSA-N
XLogP1.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
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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Related Compounds

6-(ethanethioylamino)-N-methylhexanamide
CID 143768441
(sulfanylamino) 7-(ethanethioylamino)heptanedithioate
CID 163457401
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[2-[bis[2-(ethanethioylamino)ethyl]amino]ethyl]propanethioamide
CID 59429219
zinc N-[3-(sulfidocarbothioylamino)propyl]carbamodithioate
CID 12898683
N-(2-phenylethyl)ethanethioamide
CID 58678856
(2S)-2-[[(2S)-2-amino-6-(ethanethioylamino)hexanoyl]amino]propanoic acid
CID 54757798
N,N'-bis[3-(prop-1-en-2-ylamino)propyl]propane-1,3-diamine
CID 58965145
1,3-bis(5-oxohexyl)thiourea
CID 56598326
N-[4-(5-hydroxy-3-methyl-2-oxopyrrolidin-1-yl)butyl]ethanethioamide
CID 130295721
1-butyl-3-(butylcarbamothioylamino)thiourea
CID 5386096
CID 59075972
CID 59075972

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethanethioylamino)propyl]ethanethioamide?
The IUPAC name of N-[3-(ethanethioylamino)propyl]ethanethioamide (CID 86234724) is N-[3-(ethanethioylamino)propyl]ethanethioamide.
What is the SMILES notation for N-[3-(ethanethioylamino)propyl]ethanethioamide?
The canonical SMILES for N-[3-(ethanethioylamino)propyl]ethanethioamide is CC(=S)NCCCNC(C)=S.
What is the InChIKey of N-[3-(ethanethioylamino)propyl]ethanethioamide?
The InChIKey is QJLZWHUTBOEXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S2/c1-6(10)8-4-3-5-9-7(2)11/h3-5H2,1-2H3,(H,8,10)(H,9,11).
What are the key properties of N-[3-(ethanethioylamino)propyl]ethanethioamide?
N-[3-(ethanethioylamino)propyl]ethanethioamide has a molecular weight of 190.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethanethioylamino)propyl]ethanethioamide is sourced from PubChem (CID 86234724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).