2-(dibutylamino)ethanethioamide

C10H22N2S — CID 28983104

IUPAC2-(dibutylamino)ethanethioamide
SMILESCCCCN(CCCC)CC(N)=S
InChIInChI=1S/C10H22N2S/c1-3-5-7-12(8-6-4-2)9-10(11)13/h3-9H2,1-2H3,(H2,11,13)
InChIKeyWIDOSLVDROHAAW-UHFFFAOYSA-N
MW202.37 g/mol
LogP2.17
Rot. Bonds8

About 2-(dibutylamino)ethanethioamide

2-(dibutylamino)ethanethioamide (PubChem CID 28983104) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-(dibutylamino)ethanethioamide.

Molecular Properties

Compound Name2-(dibutylamino)ethanethioamide
PubChem CID28983104
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-(dibutylamino)ethanethioamide
SMILESCCCCN(CCCC)CC(N)=S
InChIInChI=1S/C10H22N2S/c1-3-5-7-12(8-6-4-2)9-10(11)13/h3-9H2,1-2H3,(H2,11,13)
InChIKeyWIDOSLVDROHAAW-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethanedithioamide, N,N-dipropyl-
CID 3003257
N',N'-dibutylethanedithioamide
CID 3003258
N~1~,N~2~-Dibutylethanebis(thioamide)
CID 1897108
2-[2-Fluoroethyl(propyl)amino]ethanethioamide
CID 80694552
2-[3-Fluoropropyl(methyl)amino]ethanethioamide
CID 81105434
2-[Ethyl(3-fluoropropyl)amino]ethanethioamide
CID 81105435
2-[3-Fluoropropyl(propyl)amino]ethanethioamide
CID 81105599
2-[3-Fluoropropyl(propan-2-yl)amino]ethanethioamide
CID 81105765
2-[Ethyl(4,4,4-trifluorobutyl)amino]ethanethioamide
CID 115513946
2-[Propyl(4,4,4-trifluorobutyl)amino]ethanethioamide
CID 115513947
3-(Diethylamino)propanethioamide
CID 15610363
4-(Diethylamino)butanethioamide
CID 24699092

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)ethanethioamide?
The IUPAC name of 2-(dibutylamino)ethanethioamide (CID 28983104) is 2-(dibutylamino)ethanethioamide.
What is the SMILES notation for 2-(dibutylamino)ethanethioamide?
The canonical SMILES for 2-(dibutylamino)ethanethioamide is CCCCN(CCCC)CC(N)=S.
What is the InChIKey of 2-(dibutylamino)ethanethioamide?
The InChIKey is WIDOSLVDROHAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-3-5-7-12(8-6-4-2)9-10(11)13/h3-9H2,1-2H3,(H2,11,13).
What are the key properties of 2-(dibutylamino)ethanethioamide?
2-(dibutylamino)ethanethioamide has a molecular weight of 202.37 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)ethanethioamide is sourced from PubChem (CID 28983104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).