N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide

C13H26N4OS — CID 43290460

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C13H26N4OS/c1-3-5-16-7-9-17(10-8-16)11-13(18)15(2)6-4-12(14)19/h3-11H2,1-2H3,(H2,14,19)
InChIKeyOCDBOZFLMIRLRG-UHFFFAOYSA-N
MW286.44 g/mol
LogP0.15
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide (PubChem CID 43290460) has the molecular formula C13H26N4OS and a molecular weight of 286.44 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide
PubChem CID43290460
Molecular FormulaC13H26N4OS
Molecular Weight286.44 g/mol
Exact Mass286.18
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C13H26N4OS/c1-3-5-16-7-9-17(10-8-16)11-13(18)15(2)6-4-12(14)19/h3-11H2,1-2H3,(H2,14,19)
InChIKeyOCDBOZFLMIRLRG-UHFFFAOYSA-N
XLogP0.15
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[4-(carbamothioylmethyl)piperazin-1-yl]acetamide
CID 7131336
(4-Acetylpiperazin-1-yl)ethanethioamide
CID 24705741
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 62966474
3,3,3-Trifluoro-2-[(4-methyl-3-oxopiperazin-1-yl)methyl]propanethioamide
CID 103368753
2-[(2,5-Dioxo-4-propylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103368975
2-[(2,3-Dioxo-4-propylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103368999
4-(3-Aminopropyl)-1-methyl-2-piperazinone
CID 64683015
4-(3-Aminopropyl)-1-propylpiperazin-2-one
CID 146274298
2-(4-Propylpiperazin-1-yl)-2-sulfanylideneacetamide
CID 173135103
1,10-Diethyl-6-sulfanylidene-1,4,7,10-tetrazacyclotridecan-5-one
CID 11543789
2-(4-Acetylpiperazin-1-yl)propanethioamide
CID 24277086
2-(4-Ethyl-2,3-dioxopiperazin-1-yl)ethanethioamide
CID 24689942

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide (CID 43290460) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide is CCCN1CCN(CC(=O)N(C)CCC(N)=S)CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide?
The InChIKey is OCDBOZFLMIRLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4OS/c1-3-5-16-7-9-17(10-8-16)11-13(18)15(2)6-4-12(14)19/h3-11H2,1-2H3,(H2,14,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide has a molecular weight of 286.44 g/mol, XLogP of 0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide is sourced from PubChem (CID 43290460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).