N-(2-oxooxolan-3-yl)butane-1-sulfinamide

C8H15NO3S — CID 142841196

IUPACN-(2-oxooxolan-3-yl)butane-1-sulfinamide
SMILESCCCCS(=O)NC1CCOC1=O
InChIInChI=1S/C8H15NO3S/c1-2-3-6-13(11)9-7-4-5-12-8(7)10/h7,9H,2-6H2,1H3
InChIKeyZSZXGQRRQZFBTA-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.36
Rot. Bonds5

About N-(2-oxooxolan-3-yl)butane-1-sulfinamide

N-(2-oxooxolan-3-yl)butane-1-sulfinamide (PubChem CID 142841196) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-(2-oxooxolan-3-yl)butane-1-sulfinamide.

Molecular Properties

Compound NameN-(2-oxooxolan-3-yl)butane-1-sulfinamide
PubChem CID142841196
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC NameN-(2-oxooxolan-3-yl)butane-1-sulfinamide
SMILESCCCCS(=O)NC1CCOC1=O
InChIInChI=1S/C8H15NO3S/c1-2-3-6-13(11)9-7-4-5-12-8(7)10/h7,9H,2-6H2,1H3
InChIKeyZSZXGQRRQZFBTA-UHFFFAOYSA-N
XLogP0.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxooxolan-3-yl)butane-1-sulfinamide?
The IUPAC name of N-(2-oxooxolan-3-yl)butane-1-sulfinamide (CID 142841196) is N-(2-oxooxolan-3-yl)butane-1-sulfinamide.
What is the SMILES notation for N-(2-oxooxolan-3-yl)butane-1-sulfinamide?
The canonical SMILES for N-(2-oxooxolan-3-yl)butane-1-sulfinamide is CCCCS(=O)NC1CCOC1=O.
What is the InChIKey of N-(2-oxooxolan-3-yl)butane-1-sulfinamide?
The InChIKey is ZSZXGQRRQZFBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-2-3-6-13(11)9-7-4-5-12-8(7)10/h7,9H,2-6H2,1H3.
What are the key properties of N-(2-oxooxolan-3-yl)butane-1-sulfinamide?
N-(2-oxooxolan-3-yl)butane-1-sulfinamide has a molecular weight of 205.28 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxooxolan-3-yl)butane-1-sulfinamide is sourced from PubChem (CID 142841196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).