N-(4-ethylpiperazin-1-yl)methanethioamide

C7H15N3S — CID 175299892

IUPACN-(4-ethylpiperazin-1-yl)methanethioamide
SMILESCCN1CCN(NC=S)CC1
InChIInChI=1S/C7H15N3S/c1-2-9-3-5-10(6-4-9)8-7-11/h7H,2-6H2,1H3,(H,8,11)
InChIKeyBNILDUYGAMYOEM-UHFFFAOYSA-N
MW173.28 g/mol
LogP0.09
Rot. Bonds3

About N-(4-ethylpiperazin-1-yl)methanethioamide

N-(4-ethylpiperazin-1-yl)methanethioamide (PubChem CID 175299892) has the molecular formula C7H15N3S and a molecular weight of 173.28 g/mol. Its IUPAC name is N-(4-ethylpiperazin-1-yl)methanethioamide.

Molecular Properties

Compound NameN-(4-ethylpiperazin-1-yl)methanethioamide
PubChem CID175299892
Molecular FormulaC7H15N3S
Molecular Weight173.28 g/mol
Exact Mass173.10
IUPAC NameN-(4-ethylpiperazin-1-yl)methanethioamide
SMILESCCN1CCN(NC=S)CC1
InChIInChI=1S/C7H15N3S/c1-2-9-3-5-10(6-4-9)8-7-11/h7H,2-6H2,1H3,(H,8,11)
InChIKeyBNILDUYGAMYOEM-UHFFFAOYSA-N
XLogP0.09
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylpiperazin-1-yl)methanethioamide?
The IUPAC name of N-(4-ethylpiperazin-1-yl)methanethioamide (CID 175299892) is N-(4-ethylpiperazin-1-yl)methanethioamide.
What is the SMILES notation for N-(4-ethylpiperazin-1-yl)methanethioamide?
The canonical SMILES for N-(4-ethylpiperazin-1-yl)methanethioamide is CCN1CCN(NC=S)CC1.
What is the InChIKey of N-(4-ethylpiperazin-1-yl)methanethioamide?
The InChIKey is BNILDUYGAMYOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S/c1-2-9-3-5-10(6-4-9)8-7-11/h7H,2-6H2,1H3,(H,8,11).
What are the key properties of N-(4-ethylpiperazin-1-yl)methanethioamide?
N-(4-ethylpiperazin-1-yl)methanethioamide has a molecular weight of 173.28 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylpiperazin-1-yl)methanethioamide is sourced from PubChem (CID 175299892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).