N-[1-(cyanomethyl)piperidin-4-yl]pyrrolidine-1-sulfonamide

C11H20N4O2S — CID 55247688

IUPACN-[1-(cyanomethyl)piperidin-4-yl]pyrrolidine-1-sulfonamide
SMILESN#CCN1CCC(NS(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C11H20N4O2S/c12-5-10-14-8-3-11(4-9-14)13-18(16,17)15-6-1-2-7-15/h11,13H,1-4,6-10H2
InChIKeyMQZCTUGCOXLHSM-UHFFFAOYSA-N
MW272.37 g/mol
LogP-0.10
Rot. Bonds4

About N-[1-(cyanomethyl)piperidin-4-yl]pyrrolidine-1-sulfonamide

N-[1-(cyanomethyl)piperidin-4-yl]pyrrolidine-1-sulfonamide (PubChem CID 55247688) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[1-(cyanomethyl)piperidin-4-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)piperidin-4-yl]pyrrolidine-1-sulfonamide
PubChem CID55247688
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[1-(cyanomethyl)piperidin-4-yl]pyrrolidine-1-sulfonamide
SMILESN#CCN1CCC(NS(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C11H20N4O2S/c12-5-10-14-8-3-11(4-9-14)13-18(16,17)15-6-1-2-7-15/h11,13H,1-4,6-10H2
InChIKeyMQZCTUGCOXLHSM-UHFFFAOYSA-N
XLogP-0.10
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]pyrrolidine-1-sulfonamide (CID 55247688) is N-[1-(cyanomethyl)piperidin-4-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[1-(cyanomethyl)piperidin-4-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[1-(cyanomethyl)piperidin-4-yl]pyrrolidine-1-sulfonamide is N#CCN1CCC(NS(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-[1-(cyanomethyl)piperidin-4-yl]pyrrolidine-1-sulfonamide?
The InChIKey is MQZCTUGCOXLHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c12-5-10-14-8-3-11(4-9-14)13-18(16,17)15-6-1-2-7-15/h11,13H,1-4,6-10H2.
What are the key properties of N-[1-(cyanomethyl)piperidin-4-yl]pyrrolidine-1-sulfonamide?
N-[1-(cyanomethyl)piperidin-4-yl]pyrrolidine-1-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)piperidin-4-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 55247688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).