N-methyl-N-(4-methylsulfanyl-2-pyridinyl)nitramide

C7H9N3O2S — CID 45116412

IUPACN-methyl-N-(4-methylsulfanyl-2-pyridinyl)nitramide
SMILESCSc1ccnc(N(C)[N+](=O)[O-])c1
InChIInChI=1S/C7H9N3O2S/c1-9(10(11)12)7-5-6(13-2)3-4-8-7/h3-5H,1-2H3
InChIKeyVKZCBSRTSQBMKX-UHFFFAOYSA-N
MW199.24 g/mol
LogP1.43
Rot. Bonds3

About N-methyl-N-(4-methylsulfanyl-2-pyridinyl)nitramide

N-methyl-N-(4-methylsulfanyl-2-pyridinyl)nitramide (PubChem CID 45116412) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is N-methyl-N-(4-methylsulfanyl-2-pyridinyl)nitramide.

Molecular Properties

Compound NameN-methyl-N-(4-methylsulfanyl-2-pyridinyl)nitramide
PubChem CID45116412
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC NameN-methyl-N-(4-methylsulfanyl-2-pyridinyl)nitramide
SMILESCSc1ccnc(N(C)[N+](=O)[O-])c1
InChIInChI=1S/C7H9N3O2S/c1-9(10(11)12)7-5-6(13-2)3-4-8-7/h3-5H,1-2H3
InChIKeyVKZCBSRTSQBMKX-UHFFFAOYSA-N
XLogP1.43
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylsulfanyl-2-pyridinyl)nitramide?
The IUPAC name of N-methyl-N-(4-methylsulfanyl-2-pyridinyl)nitramide (CID 45116412) is N-methyl-N-(4-methylsulfanyl-2-pyridinyl)nitramide.
What is the SMILES notation for N-methyl-N-(4-methylsulfanyl-2-pyridinyl)nitramide?
The canonical SMILES for N-methyl-N-(4-methylsulfanyl-2-pyridinyl)nitramide is CSc1ccnc(N(C)[N+](=O)[O-])c1.
What is the InChIKey of N-methyl-N-(4-methylsulfanyl-2-pyridinyl)nitramide?
The InChIKey is VKZCBSRTSQBMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-9(10(11)12)7-5-6(13-2)3-4-8-7/h3-5H,1-2H3.
What are the key properties of N-methyl-N-(4-methylsulfanyl-2-pyridinyl)nitramide?
N-methyl-N-(4-methylsulfanyl-2-pyridinyl)nitramide has a molecular weight of 199.24 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylsulfanyl-2-pyridinyl)nitramide is sourced from PubChem (CID 45116412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).