(NZ)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide

C7H14N2O2S — CID 58717240

IUPAC(NZ)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide
SMILESC/C(=N/S(C)(=O)=O)N1CCCC1
InChIInChI=1S/C7H14N2O2S/c1-7(8-12(2,10)11)9-5-3-4-6-9/h3-6H2,1-2H3/b8-7-
InChIKeyHSJRRWYIYSDZKL-FPLPWBNLSA-N
MW190.27 g/mol
LogP0.46
Rot. Bonds1

About (NZ)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide

(NZ)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide (PubChem CID 58717240) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is (NZ)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide
PubChem CID58717240
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name(NZ)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide
SMILESC/C(=N/S(C)(=O)=O)N1CCCC1
InChIInChI=1S/C7H14N2O2S/c1-7(8-12(2,10)11)9-5-3-4-6-9/h3-6H2,1-2H3/b8-7-
InChIKeyHSJRRWYIYSDZKL-FPLPWBNLSA-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'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide?
The IUPAC name of (NZ)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide (CID 58717240) is (NZ)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide.
What is the SMILES notation for (NZ)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide?
The canonical SMILES for (NZ)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide is C/C(=N/S(C)(=O)=O)N1CCCC1.
What is the InChIKey of (NZ)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide?
The InChIKey is HSJRRWYIYSDZKL-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-7(8-12(2,10)11)9-5-3-4-6-9/h3-6H2,1-2H3/b8-7-.
What are the key properties of (NZ)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide?
(NZ)-N-(1-pyrrolidin-1-ylethylidene)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 (NZ)-N-(1-pyrrolidin-1-ylethylidene)methanesulfonamide is sourced from PubChem (CID 58717240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).