N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-piperidin-1-ylpropanamide

C12H23N3OS — CID 43290429

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-piperidin-1-ylpropanamide
SMILESCN(CCC(N)=S)C(=O)CCN1CCCCC1
InChIInChI=1S/C12H23N3OS/c1-14(9-5-11(13)17)12(16)6-10-15-7-3-2-4-8-15/h2-10H2,1H3,(H2,13,17)
InChIKeyZCJDRLXSZIICMW-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.00
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-piperidin-1-ylpropanamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-piperidin-1-ylpropanamide (PubChem CID 43290429) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-piperidin-1-ylpropanamide
PubChem CID43290429
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-piperidin-1-ylpropanamide
SMILESCN(CCC(N)=S)C(=O)CCN1CCCCC1
InChIInChI=1S/C12H23N3OS/c1-14(9-5-11(13)17)12(16)6-10-15-7-3-2-4-8-15/h2-10H2,1H3,(H2,13,17)
InChIKeyZCJDRLXSZIICMW-UHFFFAOYSA-N
XLogP1.00
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.00
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)-N-methyl-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-piperidin-1-ylpropanamide (CID 43290429) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-piperidin-1-ylpropanamide is CN(CCC(N)=S)C(=O)CCN1CCCCC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-piperidin-1-ylpropanamide?
The InChIKey is ZCJDRLXSZIICMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-14(9-5-11(13)17)12(16)6-10-15-7-3-2-4-8-15/h2-10H2,1H3,(H2,13,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-piperidin-1-ylpropanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-piperidin-1-ylpropanamide has a molecular weight of 257.40 g/mol, XLogP of 1.00, 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)-N-methyl-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 43290429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).