N-(1-aminopyrrolidin-3-yl)methanesulfonamide

C5H13N3O2S — CID 89076726

IUPACN-(1-aminopyrrolidin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(N)C1
InChIInChI=1S/C5H13N3O2S/c1-11(9,10)7-5-2-3-8(6)4-5/h5,7H,2-4,6H2,1H3
InChIKeyOZOKHWJJTPXRBH-UHFFFAOYSA-N
MW179.24 g/mol
LogP-1.52
Rot. Bonds2

About N-(1-aminopyrrolidin-3-yl)methanesulfonamide

N-(1-aminopyrrolidin-3-yl)methanesulfonamide (PubChem CID 89076726) has the molecular formula C5H13N3O2S and a molecular weight of 179.24 g/mol. Its IUPAC name is N-(1-aminopyrrolidin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-aminopyrrolidin-3-yl)methanesulfonamide
PubChem CID89076726
Molecular FormulaC5H13N3O2S
Molecular Weight179.24 g/mol
Exact Mass179.07
IUPAC NameN-(1-aminopyrrolidin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(N)C1
InChIInChI=1S/C5H13N3O2S/c1-11(9,10)7-5-2-3-8(6)4-5/h5,7H,2-4,6H2,1H3
InChIKeyOZOKHWJJTPXRBH-UHFFFAOYSA-N
XLogP-1.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopyrrolidin-3-yl)methanesulfonamide?
The IUPAC name of N-(1-aminopyrrolidin-3-yl)methanesulfonamide (CID 89076726) is N-(1-aminopyrrolidin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(1-aminopyrrolidin-3-yl)methanesulfonamide?
The canonical SMILES for N-(1-aminopyrrolidin-3-yl)methanesulfonamide is CS(=O)(=O)NC1CCN(N)C1.
What is the InChIKey of N-(1-aminopyrrolidin-3-yl)methanesulfonamide?
The InChIKey is OZOKHWJJTPXRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S/c1-11(9,10)7-5-2-3-8(6)4-5/h5,7H,2-4,6H2,1H3.
What are the key properties of N-(1-aminopyrrolidin-3-yl)methanesulfonamide?
N-(1-aminopyrrolidin-3-yl)methanesulfonamide has a molecular weight of 179.24 g/mol, XLogP of -1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopyrrolidin-3-yl)methanesulfonamide is sourced from PubChem (CID 89076726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).