N-(1-cyanopropyl)pyrrolidine-1-sulfonamide

C8H15N3O2S — CID 61125048

IUPACN-(1-cyanopropyl)pyrrolidine-1-sulfonamide
SMILESCCC(C#N)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H15N3O2S/c1-2-8(7-9)10-14(12,13)11-5-3-4-6-11/h8,10H,2-6H2,1H3
InChIKeyCKFFYNWKRRDCCH-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.22
Rot. Bonds4

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

N-(1-cyanopropyl)pyrrolidine-1-sulfonamide (PubChem CID 61125048) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(1-cyanopropyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)pyrrolidine-1-sulfonamide
PubChem CID61125048
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-(1-cyanopropyl)pyrrolidine-1-sulfonamide
SMILESCCC(C#N)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H15N3O2S/c1-2-8(7-9)10-14(12,13)11-5-3-4-6-11/h8,10H,2-6H2,1H3
InChIKeyCKFFYNWKRRDCCH-UHFFFAOYSA-N
XLogP0.22
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(1-cyanopropyl)pyrrolidine-1-sulfonamide (CID 61125048) is N-(1-cyanopropyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyanopropyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(1-cyanopropyl)pyrrolidine-1-sulfonamide is CCC(C#N)NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(1-cyanopropyl)pyrrolidine-1-sulfonamide?
The InChIKey is CKFFYNWKRRDCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-2-8(7-9)10-14(12,13)11-5-3-4-6-11/h8,10H,2-6H2,1H3.
What are the key properties of N-(1-cyanopropyl)pyrrolidine-1-sulfonamide?
N-(1-cyanopropyl)pyrrolidine-1-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 61125048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).