(NE)-N-(1-methylpiperidin-2-ylidene)methanesulfonamide

C7H14N2O2S — CID 12825962

IUPAC(NE)-N-(1-methylpiperidin-2-ylidene)methanesulfonamide
SMILESCN1CCCC/C1=N\S(C)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-9-6-4-3-5-7(9)8-12(2,10)11/h3-6H2,1-2H3/b8-7+
InChIKeyOVRLZLRZEMUULB-BQYQJAHWSA-N
MW190.27 g/mol
LogP0.46
Rot. Bonds1

About (NE)-N-(1-methylpiperidin-2-ylidene)methanesulfonamide

(NE)-N-(1-methylpiperidin-2-ylidene)methanesulfonamide (PubChem CID 12825962) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is (NE)-N-(1-methylpiperidin-2-ylidene)methanesulfonamide.

Molecular Properties

Compound Name(NE)-N-(1-methylpiperidin-2-ylidene)methanesulfonamide
PubChem CID12825962
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name(NE)-N-(1-methylpiperidin-2-ylidene)methanesulfonamide
SMILESCN1CCCC/C1=N\S(C)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-9-6-4-3-5-7(9)8-12(2,10)11/h3-6H2,1-2H3/b8-7+
InChIKeyOVRLZLRZEMUULB-BQYQJAHWSA-N
XLogP0.46
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.46
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 (NE)-N-(1-methylpiperidin-2-ylidene)methanesulfonamide?
The IUPAC name of (NE)-N-(1-methylpiperidin-2-ylidene)methanesulfonamide (CID 12825962) is (NE)-N-(1-methylpiperidin-2-ylidene)methanesulfonamide.
What is the SMILES notation for (NE)-N-(1-methylpiperidin-2-ylidene)methanesulfonamide?
The canonical SMILES for (NE)-N-(1-methylpiperidin-2-ylidene)methanesulfonamide is CN1CCCC/C1=N\S(C)(=O)=O.
What is the InChIKey of (NE)-N-(1-methylpiperidin-2-ylidene)methanesulfonamide?
The InChIKey is OVRLZLRZEMUULB-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-9-6-4-3-5-7(9)8-12(2,10)11/h3-6H2,1-2H3/b8-7+.
What are the key properties of (NE)-N-(1-methylpiperidin-2-ylidene)methanesulfonamide?
(NE)-N-(1-methylpiperidin-2-ylidene)methanesulfonamide has a molecular weight of 190.27 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-methylpiperidin-2-ylidene)methanesulfonamide is sourced from PubChem (CID 12825962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).