1-ethylpiperazine;methanethioamide

C7H17N3S — CID 175299893

IUPAC1-ethylpiperazine;methanethioamide
SMILESCCN1CCNCC1.NC=S
InChIInChI=1S/C6H14N2.CH3NS/c1-2-8-5-3-7-4-6-8;2-1-3/h7H,2-6H2,1H3;1H,(H2,2,3)
InChIKeyHMKPZRRLVZRTQG-UHFFFAOYSA-N
MW175.30 g/mol
LogP-0.19
Rot. Bonds1

About 1-ethylpiperazine;methanethioamide

1-ethylpiperazine;methanethioamide (PubChem CID 175299893) has the molecular formula C7H17N3S and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-ethylpiperazine;methanethioamide.

Molecular Properties

Compound Name1-ethylpiperazine;methanethioamide
PubChem CID175299893
Molecular FormulaC7H17N3S
Molecular Weight175.30 g/mol
Exact Mass175.11
IUPAC Name1-ethylpiperazine;methanethioamide
SMILESCCN1CCNCC1.NC=S
InChIInChI=1S/C6H14N2.CH3NS/c1-2-8-5-3-7-4-6-8;2-1-3/h7H,2-6H2,1H3;1H,(H2,2,3)
InChIKeyHMKPZRRLVZRTQG-UHFFFAOYSA-N
XLogP-0.19
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-ethylpiperazine;pentan-1-ol
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1-deuterio-4-ethylpiperazine
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2-(1-ethylpiperidin-4-yl)-3-piperazin-1-ylpropan-1-amine
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1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1-ethylpiperazine;N-(2-methoxyethyl)-N-methylformamide
CID 143690173
4,10-diethyl-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane
CID 18740677
7-ethyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
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1-piperazin-1-ylbutane-2,2-diamine
CID 57309719

Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperazine;methanethioamide?
The IUPAC name of 1-ethylpiperazine;methanethioamide (CID 175299893) is 1-ethylpiperazine;methanethioamide.
What is the SMILES notation for 1-ethylpiperazine;methanethioamide?
The canonical SMILES for 1-ethylpiperazine;methanethioamide is CCN1CCNCC1.NC=S.
What is the InChIKey of 1-ethylpiperazine;methanethioamide?
The InChIKey is HMKPZRRLVZRTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.CH3NS/c1-2-8-5-3-7-4-6-8;2-1-3/h7H,2-6H2,1H3;1H,(H2,2,3).
What are the key properties of 1-ethylpiperazine;methanethioamide?
1-ethylpiperazine;methanethioamide has a molecular weight of 175.30 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperazine;methanethioamide is sourced from PubChem (CID 175299893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).