N,N-bis(methylsulfanyl)-2-(6-methylsulfanyl-2-pyridinyl)acetamide

C10H14N2OS3 — CID 21127879

IUPACN,N-bis(methylsulfanyl)-2-(6-methylsulfanyl-2-pyridinyl)acetamide
SMILESCSc1cccc(CC(=O)N(SC)SC)n1
InChIInChI=1S/C10H14N2OS3/c1-14-9-6-4-5-8(11-9)7-10(13)12(15-2)16-3/h4-6H,7H2,1-3H3
InChIKeyWWKSYZHZINFHRJ-UHFFFAOYSA-N
MW274.44 g/mol
LogP2.73
Rot. Bonds5

About N,N-bis(methylsulfanyl)-2-(6-methylsulfanyl-2-pyridinyl)acetamide

N,N-bis(methylsulfanyl)-2-(6-methylsulfanyl-2-pyridinyl)acetamide (PubChem CID 21127879) has the molecular formula C10H14N2OS3 and a molecular weight of 274.44 g/mol. Its IUPAC name is N,N-bis(methylsulfanyl)-2-(6-methylsulfanyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN,N-bis(methylsulfanyl)-2-(6-methylsulfanyl-2-pyridinyl)acetamide
PubChem CID21127879
Molecular FormulaC10H14N2OS3
Molecular Weight274.44 g/mol
Exact Mass274.03
IUPAC NameN,N-bis(methylsulfanyl)-2-(6-methylsulfanyl-2-pyridinyl)acetamide
SMILESCSc1cccc(CC(=O)N(SC)SC)n1
InChIInChI=1S/C10H14N2OS3/c1-14-9-6-4-5-8(11-9)7-10(13)12(15-2)16-3/h4-6H,7H2,1-3H3
InChIKeyWWKSYZHZINFHRJ-UHFFFAOYSA-N
XLogP2.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(methylsulfanyl)-2-(6-methylsulfanyl-2-pyridinyl)acetamide?
The IUPAC name of N,N-bis(methylsulfanyl)-2-(6-methylsulfanyl-2-pyridinyl)acetamide (CID 21127879) is N,N-bis(methylsulfanyl)-2-(6-methylsulfanyl-2-pyridinyl)acetamide.
What is the SMILES notation for N,N-bis(methylsulfanyl)-2-(6-methylsulfanyl-2-pyridinyl)acetamide?
The canonical SMILES for N,N-bis(methylsulfanyl)-2-(6-methylsulfanyl-2-pyridinyl)acetamide is CSc1cccc(CC(=O)N(SC)SC)n1.
What is the InChIKey of N,N-bis(methylsulfanyl)-2-(6-methylsulfanyl-2-pyridinyl)acetamide?
The InChIKey is WWKSYZHZINFHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS3/c1-14-9-6-4-5-8(11-9)7-10(13)12(15-2)16-3/h4-6H,7H2,1-3H3.
What are the key properties of N,N-bis(methylsulfanyl)-2-(6-methylsulfanyl-2-pyridinyl)acetamide?
N,N-bis(methylsulfanyl)-2-(6-methylsulfanyl-2-pyridinyl)acetamide has a molecular weight of 274.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(methylsulfanyl)-2-(6-methylsulfanyl-2-pyridinyl)acetamide is sourced from PubChem (CID 21127879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).