N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide

C11H23N3OS — CID 119446583

IUPACN-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NCCN1CCNCC1
InChIInChI=1S/C11H23N3OS/c1-2-9-16-10-11(15)13-5-8-14-6-3-12-4-7-14/h12H,2-10H2,1H3,(H,13,15)
InChIKeySHDYMYJPDJBCFA-UHFFFAOYSA-N
MW245.39 g/mol
LogP0.15
Rot. Bonds7

About N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide

N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide (PubChem CID 119446583) has the molecular formula C11H23N3OS and a molecular weight of 245.39 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide
PubChem CID119446583
Molecular FormulaC11H23N3OS
Molecular Weight245.39 g/mol
Exact Mass245.16
IUPAC NameN-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide
SMILESCCCSCC(=O)NCCN1CCNCC1
InChIInChI=1S/C11H23N3OS/c1-2-9-16-10-11(15)13-5-8-14-6-3-12-4-7-14/h12H,2-10H2,1H3,(H,13,15)
InChIKeySHDYMYJPDJBCFA-UHFFFAOYSA-N
XLogP0.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperazin-1-ylpropyl)-2-propylsulfanylacetamide
CID 119392220
2-[2-(diethylamino)ethylsulfanyl]-N-(2-piperazin-1-ylethyl)acetamide;dihydrochloride
CID 119446260
2-(3-methylbutylsulfanyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393490
2-acetamido-N-(2-piperazin-1-ylethyl)acetamide
CID 43600274
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
2-methoxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446588
2-(diethylsulfamoyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119449276
N-[2-[(2-propylsulfanylacetyl)amino]ethyl]propanamide
CID 168959566
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-piperazin-1-ylethyl)acetamide
CID 119449112
2,2-dimethyl-N-[3-oxo-3-(2-piperazin-1-ylethylamino)propyl]propanamide
CID 119445483
N-[2-(1,4-diazepan-1-yl)ethyl]acetamide
CID 43162540
2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide
CID 119448232

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide (CID 119446583) is N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide is CCCSCC(=O)NCCN1CCNCC1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide?
The InChIKey is SHDYMYJPDJBCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3OS/c1-2-9-16-10-11(15)13-5-8-14-6-3-12-4-7-14/h12H,2-10H2,1H3,(H,13,15).
What are the key properties of N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide?
N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide has a molecular weight of 245.39 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-2-propylsulfanylacetamide is sourced from PubChem (CID 119446583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).