2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide

C11H22N4OS — CID 63336689

IUPAC2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(CC(N)=S)CC1
InChIInChI=1S/C11H22N4OS/c1-2-3-13-11(16)9-15-6-4-14(5-7-15)8-10(12)17/h2-9H2,1H3,(H2,12,17)(H,13,16)
InChIKeyDTCNHUPUISHTLM-UHFFFAOYSA-N
MW258.39 g/mol
LogP-0.58
Rot. Bonds6

About 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide

2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide (PubChem CID 63336689) has the molecular formula C11H22N4OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide
PubChem CID63336689
Molecular FormulaC11H22N4OS
Molecular Weight258.39 g/mol
Exact Mass258.15
IUPAC Name2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(CC(N)=S)CC1
InChIInChI=1S/C11H22N4OS/c1-2-3-13-11(16)9-15-6-4-14(5-7-15)8-10(12)17/h2-9H2,1H3,(H2,12,17)(H,13,16)
InChIKeyDTCNHUPUISHTLM-UHFFFAOYSA-N
XLogP-0.58
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
2-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-N-propylacetamide
CID 43252897
3-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-ethylpropanamide
CID 63336433
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide
CID 61165020
2-[4-(2-aminopentanoyl)piperazin-1-yl]-N-propylacetamide
CID 60936804
2-methylpropyl 4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxylate
CID 78803248
2-[4-(carboxymethyl)-10-(2-oxoethyl)-7-[2-oxo-2-(propylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 142103620
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-propylacetamide
CID 54874647
2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
CID 108995511
2-[4-(4-hydroxybutanoyl)piperazin-1-yl]-N-propylacetamide
CID 79203329
2-(4-acetylpiperazin-1-yl)ethanethioamide
CID 24705741
2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide
CID 18284875

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide (CID 63336689) is 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(CC(N)=S)CC1.
What is the InChIKey of 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide?
The InChIKey is DTCNHUPUISHTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4OS/c1-2-3-13-11(16)9-15-6-4-14(5-7-15)8-10(12)17/h2-9H2,1H3,(H2,12,17)(H,13,16).
What are the key properties of 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide?
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide has a molecular weight of 258.39 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 63336689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).