N-(3-amino-3-sulfanylidenepropyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropanamide

C13H25N3O2S — CID 43372938

IUPACN-(3-amino-3-sulfanylidenepropyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropanamide
SMILESCOC1CCN(CCC(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C13H25N3O2S/c1-15(7-5-12(14)19)13(17)6-10-16-8-3-11(18-2)4-9-16/h11H,3-10H2,1-2H3,(H2,14,19)
InChIKeyAWNUKYZSBIODMQ-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.62
Rot. Bonds7

About N-(3-amino-3-sulfanylidenepropyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropanamide

N-(3-amino-3-sulfanylidenepropyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropanamide (PubChem CID 43372938) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropanamide
PubChem CID43372938
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropanamide
SMILESCOC1CCN(CCC(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C13H25N3O2S/c1-15(7-5-12(14)19)13(17)6-10-16-8-3-11(18-2)4-9-16/h11H,3-10H2,1-2H3,(H2,14,19)
InChIKeyAWNUKYZSBIODMQ-UHFFFAOYSA-N
XLogP0.62
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-3-(4-methoxypiperidin-1-yl)-N-methylpropanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropanamide (CID 43372938) is N-(3-amino-3-sulfanylidenepropyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropanamide is COC1CCN(CCC(=O)N(C)CCC(N)=S)CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropanamide?
The InChIKey is AWNUKYZSBIODMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-15(7-5-12(14)19)13(17)6-10-16-8-3-11(18-2)4-9-16/h11H,3-10H2,1-2H3,(H2,14,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropanamide?
N-(3-amino-3-sulfanylidenepropyl)-3-(4-methoxypiperidin-1-yl)-N-methylpropanamide has a molecular weight of 287.43 g/mol, XLogP of 0.62, 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)-3-(4-methoxypiperidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 43372938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).