(3R)-3-amino-N-methylpyrrolidine-1-sulfonamide

C5H13N3O2S — CID 104978146

IUPAC(3R)-3-amino-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C5H13N3O2S/c1-7-11(9,10)8-3-2-5(6)4-8/h5,7H,2-4,6H2,1H3/t5-/m1/s1
InChIKeyYQFHSRAFRQNJPW-RXMQYKEDSA-N
MW179.24 g/mol
LogP-1.52
Rot. Bonds2

About (3R)-3-amino-N-methylpyrrolidine-1-sulfonamide

(3R)-3-amino-N-methylpyrrolidine-1-sulfonamide (PubChem CID 104978146) has the molecular formula C5H13N3O2S and a molecular weight of 179.24 g/mol. Its IUPAC name is (3R)-3-amino-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-amino-N-methylpyrrolidine-1-sulfonamide
PubChem CID104978146
Molecular FormulaC5H13N3O2S
Molecular Weight179.24 g/mol
Exact Mass179.07
IUPAC Name(3R)-3-amino-N-methylpyrrolidine-1-sulfonamide
SMILESCNS(=O)(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C5H13N3O2S/c1-7-11(9,10)8-3-2-5(6)4-8/h5,7H,2-4,6H2,1H3/t5-/m1/s1
InChIKeyYQFHSRAFRQNJPW-RXMQYKEDSA-N
XLogP-1.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of (3R)-3-amino-N-methylpyrrolidine-1-sulfonamide (CID 104978146) is (3R)-3-amino-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-amino-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for (3R)-3-amino-N-methylpyrrolidine-1-sulfonamide is CNS(=O)(=O)N1CC[C@@H](N)C1.
What is the InChIKey of (3R)-3-amino-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is YQFHSRAFRQNJPW-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13N3O2S/c1-7-11(9,10)8-3-2-5(6)4-8/h5,7H,2-4,6H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-amino-N-methylpyrrolidine-1-sulfonamide?
(3R)-3-amino-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 179.24 g/mol, XLogP of -1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 104978146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).