N-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide

C13H25N3OS — CID 43290617

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide
SMILESCCC1CCCCN1CC(=O)N(C)CCC(N)=S
InChIInChI=1S/C13H25N3OS/c1-3-11-6-4-5-8-16(11)10-13(17)15(2)9-7-12(14)18/h11H,3-10H2,1-2H3,(H2,14,18)
InChIKeyDIJNXZHYVDAAFP-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.39
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide

N-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide (PubChem CID 43290617) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide
PubChem CID43290617
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide
SMILESCCC1CCCCN1CC(=O)N(C)CCC(N)=S
InChIInChI=1S/C13H25N3OS/c1-3-11-6-4-5-8-16(11)10-13(17)15(2)9-7-12(14)18/h11H,3-10H2,1-2H3,(H2,14,18)
InChIKeyDIJNXZHYVDAAFP-UHFFFAOYSA-N
XLogP1.39
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylacetamide
CID 62469340
N-(3-amino-3-sulfanylidenepropyl)-2-(2,3-dimethylpiperidin-1-yl)-N-methylacetamide
CID 62123382
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide
CID 65320420
1-cyclopentyl-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 104750099
N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43290470
ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate
CID 51697484
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-propylpiperazin-1-yl)acetamide
CID 43290460
2-(4-acetylpiperazin-1-yl)-N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide
CID 43290388
1-[3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-3-oxopropyl]piperidine-4-carboxamide
CID 43290344
1-(2-ethylazepan-1-yl)butan-2-one
CID 104690718
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanamide
CID 63207759
N-(3-amino-3-sulfanylidenepropyl)-3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methylpropanamide
CID 79918805

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide (CID 43290617) is N-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide is CCC1CCCCN1CC(=O)N(C)CCC(N)=S.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide?
The InChIKey is DIJNXZHYVDAAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-3-11-6-4-5-8-16(11)10-13(17)15(2)9-7-12(14)18/h11H,3-10H2,1-2H3,(H2,14,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide has a molecular weight of 271.43 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 43290617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).