N-(1,3-dimethylperimidin-2-ylidene)methanesulfonamide

C14H15N3O2S — CID 15687353

IUPACN-(1,3-dimethylperimidin-2-ylidene)methanesulfonamide
SMILESCN1C(=NS(C)(=O)=O)N(C)c2cccc3cccc1c23
InChIInChI=1S/C14H15N3O2S/c1-16-11-8-4-6-10-7-5-9-12(13(10)11)17(2)14(16)15-20(3,18)19/h4-9H,1-3H3
InChIKeyVZBFWFLSMXLJJM-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.04
Rot. Bonds1

About N-(1,3-dimethylperimidin-2-ylidene)methanesulfonamide

N-(1,3-dimethylperimidin-2-ylidene)methanesulfonamide (PubChem CID 15687353) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(1,3-dimethylperimidin-2-ylidene)methanesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethylperimidin-2-ylidene)methanesulfonamide
PubChem CID15687353
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(1,3-dimethylperimidin-2-ylidene)methanesulfonamide
SMILESCN1C(=NS(C)(=O)=O)N(C)c2cccc3cccc1c23
InChIInChI=1S/C14H15N3O2S/c1-16-11-8-4-6-10-7-5-9-12(13(10)11)17(2)14(16)15-20(3,18)19/h4-9H,1-3H3
InChIKeyVZBFWFLSMXLJJM-UHFFFAOYSA-N
XLogP2.04
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylperimidin-2-ylidene)methanesulfonamide?
The IUPAC name of N-(1,3-dimethylperimidin-2-ylidene)methanesulfonamide (CID 15687353) is N-(1,3-dimethylperimidin-2-ylidene)methanesulfonamide.
What is the SMILES notation for N-(1,3-dimethylperimidin-2-ylidene)methanesulfonamide?
The canonical SMILES for N-(1,3-dimethylperimidin-2-ylidene)methanesulfonamide is CN1C(=NS(C)(=O)=O)N(C)c2cccc3cccc1c23.
What is the InChIKey of N-(1,3-dimethylperimidin-2-ylidene)methanesulfonamide?
The InChIKey is VZBFWFLSMXLJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-16-11-8-4-6-10-7-5-9-12(13(10)11)17(2)14(16)15-20(3,18)19/h4-9H,1-3H3.
What are the key properties of N-(1,3-dimethylperimidin-2-ylidene)methanesulfonamide?
N-(1,3-dimethylperimidin-2-ylidene)methanesulfonamide has a molecular weight of 289.36 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylperimidin-2-ylidene)methanesulfonamide is sourced from PubChem (CID 15687353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).