N-(1-cyanoethyl)pyrrolidine-1-sulfonamide

C7H13N3O2S — CID 61123645

IUPACN-(1-cyanoethyl)pyrrolidine-1-sulfonamide
SMILESCC(C#N)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C7H13N3O2S/c1-7(6-8)9-13(11,12)10-4-2-3-5-10/h7,9H,2-5H2,1H3
InChIKeyGFWXKDMRYKWVCX-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.17
Rot. Bonds3

About N-(1-cyanoethyl)pyrrolidine-1-sulfonamide

N-(1-cyanoethyl)pyrrolidine-1-sulfonamide (PubChem CID 61123645) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-(1-cyanoethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)pyrrolidine-1-sulfonamide
PubChem CID61123645
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-(1-cyanoethyl)pyrrolidine-1-sulfonamide
SMILESCC(C#N)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C7H13N3O2S/c1-7(6-8)9-13(11,12)10-4-2-3-5-10/h7,9H,2-5H2,1H3
InChIKeyGFWXKDMRYKWVCX-UHFFFAOYSA-N
XLogP-0.17
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(1-cyanoethyl)pyrrolidine-1-sulfonamide (CID 61123645) is N-(1-cyanoethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyanoethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(1-cyanoethyl)pyrrolidine-1-sulfonamide is CC(C#N)NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(1-cyanoethyl)pyrrolidine-1-sulfonamide?
The InChIKey is GFWXKDMRYKWVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-7(6-8)9-13(11,12)10-4-2-3-5-10/h7,9H,2-5H2,1H3.
What are the key properties of N-(1-cyanoethyl)pyrrolidine-1-sulfonamide?
N-(1-cyanoethyl)pyrrolidine-1-sulfonamide has a molecular weight of 203.27 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 61123645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).