N-[2-(2-iminopyrrolidin-1-yl)ethyl]methanesulfonamide

C7H15N3O2S — CID 43546115

IUPACN-[2-(2-iminopyrrolidin-1-yl)ethyl]methanesulfonamide
SMILES[H]/N=C1\CCCN1CCNS(C)(=O)=O
InChIInChI=1S/C7H15N3O2S/c1-13(11,12)9-4-6-10-5-2-3-7(10)8/h8-9H,2-6H2,1H3/b8-7+
InChIKeyGJPPRNHKTKUYFN-BQYQJAHWSA-N
MW205.28 g/mol
LogP-0.39
Rot. Bonds4

About N-[2-(2-iminopyrrolidin-1-yl)ethyl]methanesulfonamide

N-[2-(2-iminopyrrolidin-1-yl)ethyl]methanesulfonamide (PubChem CID 43546115) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-[2-(2-iminopyrrolidin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-iminopyrrolidin-1-yl)ethyl]methanesulfonamide
PubChem CID43546115
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC NameN-[2-(2-iminopyrrolidin-1-yl)ethyl]methanesulfonamide
SMILES[H]/N=C1\CCCN1CCNS(C)(=O)=O
InChIInChI=1S/C7H15N3O2S/c1-13(11,12)9-4-6-10-5-2-3-7(10)8/h8-9H,2-6H2,1H3/b8-7+
InChIKeyGJPPRNHKTKUYFN-BQYQJAHWSA-N
XLogP-0.39
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[2-(2-iminopyrrolidin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2-iminopyrrolidin-1-yl)ethyl]methanesulfonamide (CID 43546115) is N-[2-(2-iminopyrrolidin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-iminopyrrolidin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-iminopyrrolidin-1-yl)ethyl]methanesulfonamide is [H]/N=C1\CCCN1CCNS(C)(=O)=O.
What is the InChIKey of N-[2-(2-iminopyrrolidin-1-yl)ethyl]methanesulfonamide?
The InChIKey is GJPPRNHKTKUYFN-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-13(11,12)9-4-6-10-5-2-3-7(10)8/h8-9H,2-6H2,1H3/b8-7+.
What are the key properties of N-[2-(2-iminopyrrolidin-1-yl)ethyl]methanesulfonamide?
N-[2-(2-iminopyrrolidin-1-yl)ethyl]methanesulfonamide has a molecular weight of 205.28 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-iminopyrrolidin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 43546115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).