1-(sulfinatoamino)butane

C4H10NO2S- — CID 18314787

IUPAC1-(sulfinatoamino)butane
SMILESCCCCNS(=O)[O-]
InChIInChI=1S/C4H11NO2S/c1-2-3-4-5-8(6)7/h5H,2-4H2,1H3,(H,6,7)/p-1
InChIKeyTZFVREKTQBKOHZ-UHFFFAOYSA-M
MW136.20 g/mol
LogP0.17
Rot. Bonds4

About 1-(sulfinatoamino)butane

1-(sulfinatoamino)butane (PubChem CID 18314787) has the molecular formula C4H10NO2S- and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-(sulfinatoamino)butane.

Molecular Properties

Compound Name1-(sulfinatoamino)butane
PubChem CID18314787
Molecular FormulaC4H10NO2S-
Molecular Weight136.20 g/mol
Exact Mass136.04
IUPAC Name1-(sulfinatoamino)butane
SMILESCCCCNS(=O)[O-]
InChIInChI=1S/C4H11NO2S/c1-2-3-4-5-8(6)7/h5H,2-4H2,1H3,(H,6,7)/p-1
InChIKeyTZFVREKTQBKOHZ-UHFFFAOYSA-M
XLogP0.17
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(sulfinatoamino)butane?
The IUPAC name of 1-(sulfinatoamino)butane (CID 18314787) is 1-(sulfinatoamino)butane.
What is the SMILES notation for 1-(sulfinatoamino)butane?
The canonical SMILES for 1-(sulfinatoamino)butane is CCCCNS(=O)[O-].
What is the InChIKey of 1-(sulfinatoamino)butane?
The InChIKey is TZFVREKTQBKOHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO2S/c1-2-3-4-5-8(6)7/h5H,2-4H2,1H3,(H,6,7)/p-1.
What are the key properties of 1-(sulfinatoamino)butane?
1-(sulfinatoamino)butane has a molecular weight of 136.20 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfinatoamino)butane is sourced from PubChem (CID 18314787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).