N,N-dimethyl-1-phenylsulfanylmethaneselenoamide

C9H11NSSe — CID 5324148

IUPACN,N-dimethyl-1-phenylsulfanylmethaneselenoamide
SMILESCN(C)C(=[Se])Sc1ccccc1
InChIInChI=1S/C9H11NSSe/c1-10(2)9(12)11-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyFECFFEAANITGQH-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.60
Rot. Bonds3

About N,N-dimethyl-1-phenylsulfanylmethaneselenoamide

N,N-dimethyl-1-phenylsulfanylmethaneselenoamide (PubChem CID 5324148) has the molecular formula C9H11NSSe and a molecular weight of 244.22 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylsulfanylmethaneselenoamide.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylsulfanylmethaneselenoamide
PubChem CID5324148
Molecular FormulaC9H11NSSe
Molecular Weight244.22 g/mol
Exact Mass244.98
IUPAC NameN,N-dimethyl-1-phenylsulfanylmethaneselenoamide
SMILESCN(C)C(=[Se])Sc1ccccc1
InChIInChI=1S/C9H11NSSe/c1-10(2)9(12)11-8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyFECFFEAANITGQH-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylsulfanylmethaneselenoamide?
The IUPAC name of N,N-dimethyl-1-phenylsulfanylmethaneselenoamide (CID 5324148) is N,N-dimethyl-1-phenylsulfanylmethaneselenoamide.
What is the SMILES notation for N,N-dimethyl-1-phenylsulfanylmethaneselenoamide?
The canonical SMILES for N,N-dimethyl-1-phenylsulfanylmethaneselenoamide is CN(C)C(=[Se])Sc1ccccc1.
What is the InChIKey of N,N-dimethyl-1-phenylsulfanylmethaneselenoamide?
The InChIKey is FECFFEAANITGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NSSe/c1-10(2)9(12)11-8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of N,N-dimethyl-1-phenylsulfanylmethaneselenoamide?
N,N-dimethyl-1-phenylsulfanylmethaneselenoamide has a molecular weight of 244.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylsulfanylmethaneselenoamide is sourced from PubChem (CID 5324148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).