N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide

C12H23N3OS — CID 43290168

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C12H23N3OS/c1-10-3-7-15(8-4-10)9-12(16)14(2)6-5-11(13)17/h10H,3-9H2,1-2H3,(H2,13,17)
InChIKeyZMQRZVUAVYOJBN-UHFFFAOYSA-N
MW257.40 g/mol
LogP0.85
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 43290168) 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-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID43290168
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C12H23N3OS/c1-10-3-7-15(8-4-10)9-12(16)14(2)6-5-11(13)17/h10H,3-9H2,1-2H3,(H2,13,17)
InChIKeyZMQRZVUAVYOJBN-UHFFFAOYSA-N
XLogP0.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 50.85
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-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide (CID 43290168) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)N(C)CCC(N)=S)CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is ZMQRZVUAVYOJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-10-3-7-15(8-4-10)9-12(16)14(2)6-5-11(13)17/h10H,3-9H2,1-2H3,(H2,13,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 257.40 g/mol, XLogP of 0.85, 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)-N-methyl-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 43290168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).