2-[(sulfamoylamino)methyl]-4-sulfanylpyrrolidine

C5H13N3O2S2 — CID 21461289

IUPAC2-[(sulfamoylamino)methyl]-4-sulfanylpyrrolidine
SMILESNS(=O)(=O)NCC1CC(S)CN1
InChIInChI=1S/C5H13N3O2S2/c6-12(9,10)8-2-4-1-5(11)3-7-4/h4-5,7-8,11H,1-3H2,(H2,6,9,10)
InChIKeyZPSVVTRBLLLJGR-UHFFFAOYSA-N
MW211.31 g/mol
LogP-1.56
Rot. Bonds3

About 2-[(sulfamoylamino)methyl]-4-sulfanylpyrrolidine

2-[(sulfamoylamino)methyl]-4-sulfanylpyrrolidine (PubChem CID 21461289) has the molecular formula C5H13N3O2S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[(sulfamoylamino)methyl]-4-sulfanylpyrrolidine.

Molecular Properties

Compound Name2-[(sulfamoylamino)methyl]-4-sulfanylpyrrolidine
PubChem CID21461289
Molecular FormulaC5H13N3O2S2
Molecular Weight211.31 g/mol
Exact Mass211.04
IUPAC Name2-[(sulfamoylamino)methyl]-4-sulfanylpyrrolidine
SMILESNS(=O)(=O)NCC1CC(S)CN1
InChIInChI=1S/C5H13N3O2S2/c6-12(9,10)8-2-4-1-5(11)3-7-4/h4-5,7-8,11H,1-3H2,(H2,6,9,10)
InChIKeyZPSVVTRBLLLJGR-UHFFFAOYSA-N
XLogP-1.56
TPSA84.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(sulfamoylamino)methyl]-4-sulfanylpyrrolidine?
The IUPAC name of 2-[(sulfamoylamino)methyl]-4-sulfanylpyrrolidine (CID 21461289) is 2-[(sulfamoylamino)methyl]-4-sulfanylpyrrolidine.
What is the SMILES notation for 2-[(sulfamoylamino)methyl]-4-sulfanylpyrrolidine?
The canonical SMILES for 2-[(sulfamoylamino)methyl]-4-sulfanylpyrrolidine is NS(=O)(=O)NCC1CC(S)CN1.
What is the InChIKey of 2-[(sulfamoylamino)methyl]-4-sulfanylpyrrolidine?
The InChIKey is ZPSVVTRBLLLJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2S2/c6-12(9,10)8-2-4-1-5(11)3-7-4/h4-5,7-8,11H,1-3H2,(H2,6,9,10).
What are the key properties of 2-[(sulfamoylamino)methyl]-4-sulfanylpyrrolidine?
2-[(sulfamoylamino)methyl]-4-sulfanylpyrrolidine has a molecular weight of 211.31 g/mol, XLogP of -1.56, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(sulfamoylamino)methyl]-4-sulfanylpyrrolidine is sourced from PubChem (CID 21461289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).