2-(sulfinatoamino)butane

C4H10NO2S- — CID 22272905

IUPAC2-(sulfinatoamino)butane
SMILESCCC(C)NS(=O)[O-]
InChIInChI=1S/C4H11NO2S/c1-3-4(2)5-8(6)7/h4-5H,3H2,1-2H3,(H,6,7)/p-1
InChIKeyQIOUDVXSKDFSQN-UHFFFAOYSA-M
MW136.20 g/mol
LogP0.17
Rot. Bonds3

About 2-(sulfinatoamino)butane

2-(sulfinatoamino)butane (PubChem CID 22272905) has the molecular formula C4H10NO2S- and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-(sulfinatoamino)butane.

Molecular Properties

Compound Name2-(sulfinatoamino)butane
PubChem CID22272905
Molecular FormulaC4H10NO2S-
Molecular Weight136.20 g/mol
Exact Mass136.04
IUPAC Name2-(sulfinatoamino)butane
SMILESCCC(C)NS(=O)[O-]
InChIInChI=1S/C4H11NO2S/c1-3-4(2)5-8(6)7/h4-5H,3H2,1-2H3,(H,6,7)/p-1
InChIKeyQIOUDVXSKDFSQN-UHFFFAOYSA-M
XLogP0.17
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(sulfinatoamino)butane?
The IUPAC name of 2-(sulfinatoamino)butane (CID 22272905) is 2-(sulfinatoamino)butane.
What is the SMILES notation for 2-(sulfinatoamino)butane?
The canonical SMILES for 2-(sulfinatoamino)butane is CCC(C)NS(=O)[O-].
What is the InChIKey of 2-(sulfinatoamino)butane?
The InChIKey is QIOUDVXSKDFSQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO2S/c1-3-4(2)5-8(6)7/h4-5H,3H2,1-2H3,(H,6,7)/p-1.
What are the key properties of 2-(sulfinatoamino)butane?
2-(sulfinatoamino)butane has a molecular weight of 136.20 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinatoamino)butane is sourced from PubChem (CID 22272905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).