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

C13H25N3OS — CID 62123382

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-(2,3-dimethylpiperidin-1-yl)-N-methylacetamide
SMILESCC1CCCN(CC(=O)N(C)CCC(N)=S)C1C
InChIInChI=1S/C13H25N3OS/c1-10-5-4-7-16(11(10)2)9-13(17)15(3)8-6-12(14)18/h10-11H,4-9H2,1-3H3,(H2,14,18)
InChIKeyAMIIEVYUXSYRGE-UHFFFAOYSA-N
MW271.43 g/mol
LogP1.24
Rot. Bonds5

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

N-(3-amino-3-sulfanylidenepropyl)-2-(2,3-dimethylpiperidin-1-yl)-N-methylacetamide (PubChem CID 62123382) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-(2,3-dimethylpiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-(2,3-dimethylpiperidin-1-yl)-N-methylacetamide
PubChem CID62123382
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-(2,3-dimethylpiperidin-1-yl)-N-methylacetamide
SMILESCC1CCCN(CC(=O)N(C)CCC(N)=S)C1C
InChIInChI=1S/C13H25N3OS/c1-10-5-4-7-16(11(10)2)9-13(17)15(3)8-6-12(14)18/h10-11H,4-9H2,1-3H3,(H2,14,18)
InChIKeyAMIIEVYUXSYRGE-UHFFFAOYSA-N
XLogP1.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 51.24
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-(2,3-dimethylpiperidin-1-yl)-N-methylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(2,3-dimethylpiperidin-1-yl)-N-methylacetamide (CID 62123382) is N-(3-amino-3-sulfanylidenepropyl)-2-(2,3-dimethylpiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-(2,3-dimethylpiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-(2,3-dimethylpiperidin-1-yl)-N-methylacetamide is CC1CCCN(CC(=O)N(C)CCC(N)=S)C1C.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-(2,3-dimethylpiperidin-1-yl)-N-methylacetamide?
The InChIKey is AMIIEVYUXSYRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-10-5-4-7-16(11(10)2)9-13(17)15(3)8-6-12(14)18/h10-11H,4-9H2,1-3H3,(H2,14,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-(2,3-dimethylpiperidin-1-yl)-N-methylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-(2,3-dimethylpiperidin-1-yl)-N-methylacetamide has a molecular weight of 271.43 g/mol, XLogP of 1.24, 5 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-(2,3-dimethylpiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 62123382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).