N-(2-methyl-2-nitrososulfanylpropyl)acetamide

C6H12N2O2S — CID 10080907

IUPACN-(2-methyl-2-nitrososulfanylpropyl)acetamide
SMILESCC(=O)NCC(C)(C)SN=O
InChIInChI=1S/C6H12N2O2S/c1-5(9)7-4-6(2,3)11-8-10/h4H2,1-3H3,(H,7,9)
InChIKeyVPGLNCHYYRNXCL-UHFFFAOYSA-N
MW176.24 g/mol
LogP1.32
Rot. Bonds4

About N-(2-methyl-2-nitrososulfanylpropyl)acetamide

N-(2-methyl-2-nitrososulfanylpropyl)acetamide (PubChem CID 10080907) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is N-(2-methyl-2-nitrososulfanylpropyl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-2-nitrososulfanylpropyl)acetamide
PubChem CID10080907
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC NameN-(2-methyl-2-nitrososulfanylpropyl)acetamide
SMILESCC(=O)NCC(C)(C)SN=O
InChIInChI=1S/C6H12N2O2S/c1-5(9)7-4-6(2,3)11-8-10/h4H2,1-3H3,(H,7,9)
InChIKeyVPGLNCHYYRNXCL-UHFFFAOYSA-N
XLogP1.32
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methyl-2-nitrososulfanylpropyl)acetamide?
The IUPAC name of N-(2-methyl-2-nitrososulfanylpropyl)acetamide (CID 10080907) is N-(2-methyl-2-nitrososulfanylpropyl)acetamide.
What is the SMILES notation for N-(2-methyl-2-nitrososulfanylpropyl)acetamide?
The canonical SMILES for N-(2-methyl-2-nitrososulfanylpropyl)acetamide is CC(=O)NCC(C)(C)SN=O.
What is the InChIKey of N-(2-methyl-2-nitrososulfanylpropyl)acetamide?
The InChIKey is VPGLNCHYYRNXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-5(9)7-4-6(2,3)11-8-10/h4H2,1-3H3,(H,7,9).
What are the key properties of N-(2-methyl-2-nitrososulfanylpropyl)acetamide?
N-(2-methyl-2-nitrososulfanylpropyl)acetamide has a molecular weight of 176.24 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-nitrososulfanylpropyl)acetamide is sourced from PubChem (CID 10080907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).