2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide

C9H21N3S — CID 103189022

IUPAC2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide
SMILESCCN(CC(N)=S)C(C)CN(C)C
InChIInChI=1S/C9H21N3S/c1-5-12(7-9(10)13)8(2)6-11(3)4/h8H,5-7H2,1-4H3,(H2,10,13)
InChIKeyVTCKPDCWJDHWMR-UHFFFAOYSA-N
MW203.35 g/mol
LogP0.54
Rot. Bonds6

About 2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide

2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide (PubChem CID 103189022) has the molecular formula C9H21N3S and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide
PubChem CID103189022
Molecular FormulaC9H21N3S
Molecular Weight203.35 g/mol
Exact Mass203.15
IUPAC Name2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide
SMILESCCN(CC(N)=S)C(C)CN(C)C
InChIInChI=1S/C9H21N3S/c1-5-12(7-9(10)13)8(2)6-11(3)4/h8H,5-7H2,1-4H3,(H2,10,13)
InChIKeyVTCKPDCWJDHWMR-UHFFFAOYSA-N
XLogP0.54
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(dimethylamino)propan-2-yl-ethylamino]butanethioamide
CID 103189028
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188353
(2R)-1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188351
N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine
CID 103189603
3-(diethylamino)butanethioamide
CID 60913330
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylbutane-1,2-diamine
CID 103188341
1-[1-(dimethylamino)propan-2-yl-ethylamino]-3-(methylamino)propan-2-ol
CID 103188299
N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine
CID 103187905
3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorobenzenecarbothioamide
CID 107115742
ethyl 2-[(2-amino-2-sulfanylideneethyl)-ethylamino]butanoate
CID 64660529
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine
CID 103189525
1-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylbutan-2-ol
CID 103190449

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide?
The IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide (CID 103189022) is 2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide is CCN(CC(N)=S)C(C)CN(C)C.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide?
The InChIKey is VTCKPDCWJDHWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3S/c1-5-12(7-9(10)13)8(2)6-11(3)4/h8H,5-7H2,1-4H3,(H2,10,13).
What are the key properties of 2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide?
2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide has a molecular weight of 203.35 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide is sourced from PubChem (CID 103189022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).