N-(1-aminoethyl)-N-methylethanethioamide

C5H12N2S — CID 155041594

IUPACN-(1-aminoethyl)-N-methylethanethioamide
SMILESCC(=S)N(C)C(C)N
InChIInChI=1S/C5H12N2S/c1-4(6)7(3)5(2)8/h4H,6H2,1-3H3
InChIKeyDXFCZEXLVMVNMM-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.57
Rot. Bonds1

About N-(1-aminoethyl)-N-methylethanethioamide

N-(1-aminoethyl)-N-methylethanethioamide (PubChem CID 155041594) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is N-(1-aminoethyl)-N-methylethanethioamide.

Molecular Properties

Compound NameN-(1-aminoethyl)-N-methylethanethioamide
PubChem CID155041594
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC NameN-(1-aminoethyl)-N-methylethanethioamide
SMILESCC(=S)N(C)C(C)N
InChIInChI=1S/C5H12N2S/c1-4(6)7(3)5(2)8/h4H,6H2,1-3H3
InChIKeyDXFCZEXLVMVNMM-UHFFFAOYSA-N
XLogP0.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Diethylthiourea
CID 854389
N,N,N'-Triethylthiourea
CID 3589091
N,N'-(Ethane-1,1-diyl)diethanethioamide
CID 13193579
1,1-Bis(1-aminoethyl)thiourea
CID 21755505
1-(Diethylamino)ethylthiourea
CID 88808205
N-[1-(methylamino)ethyl]ethanethioamide
CID 89174793
1-(2-Aminoethyl)-1-ethylthiourea
CID 150699369
2-[Ethyl(methyl)amino]ethylthiourea
CID 62640908
1-Ethyl-1-[2-(methylamino)ethyl]thiourea
CID 143436514

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethyl)-N-methylethanethioamide?
The IUPAC name of N-(1-aminoethyl)-N-methylethanethioamide (CID 155041594) is N-(1-aminoethyl)-N-methylethanethioamide.
What is the SMILES notation for N-(1-aminoethyl)-N-methylethanethioamide?
The canonical SMILES for N-(1-aminoethyl)-N-methylethanethioamide is CC(=S)N(C)C(C)N.
What is the InChIKey of N-(1-aminoethyl)-N-methylethanethioamide?
The InChIKey is DXFCZEXLVMVNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-4(6)7(3)5(2)8/h4H,6H2,1-3H3.
What are the key properties of N-(1-aminoethyl)-N-methylethanethioamide?
N-(1-aminoethyl)-N-methylethanethioamide has a molecular weight of 132.23 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethyl)-N-methylethanethioamide is sourced from PubChem (CID 155041594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).