N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide

C15H29N3OS — CID 63160887

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide
SMILESCCC1(CC)CCN(CC(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C15H29N3OS/c1-4-15(5-2)7-10-18(11-8-15)12-14(19)17(3)9-6-13(16)20/h4-12H2,1-3H3,(H2,16,20)
InChIKeyFBKJXVJONOOWDP-UHFFFAOYSA-N
MW299.48 g/mol
LogP2.02
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide

N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide (PubChem CID 63160887) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide
PubChem CID63160887
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide
SMILESCCC1(CC)CCN(CC(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C15H29N3OS/c1-4-15(5-2)7-10-18(11-8-15)12-14(19)17(3)9-6-13(16)20/h4-12H2,1-3H3,(H2,16,20)
InChIKeyFBKJXVJONOOWDP-UHFFFAOYSA-N
XLogP2.02
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.02
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-(3-amino-3-sulfanylidenepropyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide (CID 63160887) is N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide is CCC1(CC)CCN(CC(=O)N(C)CCC(N)=S)CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide?
The InChIKey is FBKJXVJONOOWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-4-15(5-2)7-10-18(11-8-15)12-14(19)17(3)9-6-13(16)20/h4-12H2,1-3H3,(H2,16,20).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide has a molecular weight of 299.48 g/mol, XLogP of 2.02, 7 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-(4,4-diethylpiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 63160887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).