2-[(sulfinatoamino)methyl]oxolane

C5H10NO3S- — CID 23465505

IUPAC2-[(sulfinatoamino)methyl]oxolane
SMILESO=S([O-])NCC1CCCO1
InChIInChI=1S/C5H11NO3S/c7-10(8)6-4-5-2-1-3-9-5/h5-6H,1-4H2,(H,7,8)/p-1
InChIKeySWHJBNWJNGSGJD-UHFFFAOYSA-M
MW164.21 g/mol
LogP-0.45
Rot. Bonds3

About 2-[(sulfinatoamino)methyl]oxolane

2-[(sulfinatoamino)methyl]oxolane (PubChem CID 23465505) has the molecular formula C5H10NO3S- and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-[(sulfinatoamino)methyl]oxolane.

Molecular Properties

Compound Name2-[(sulfinatoamino)methyl]oxolane
PubChem CID23465505
Molecular FormulaC5H10NO3S-
Molecular Weight164.21 g/mol
Exact Mass164.04
IUPAC Name2-[(sulfinatoamino)methyl]oxolane
SMILESO=S([O-])NCC1CCCO1
InChIInChI=1S/C5H11NO3S/c7-10(8)6-4-5-2-1-3-9-5/h5-6H,1-4H2,(H,7,8)/p-1
InChIKeySWHJBNWJNGSGJD-UHFFFAOYSA-M
XLogP-0.45
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propane-2-sulfinamide
CID 165172615
ethane;N-methyl-1-(oxolan-2-yl)methanamine
CID 91079378
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
[(2R)-oxolan-2-yl]methylhydrazine;dihydrochloride
CID 66643106
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
[(2S)-oxolan-2-yl]methylcyanamide
CID 87337063
2-(sulfinatoamino)oxolane
CID 57299941
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
N-methyl-1-[(2R)-oxolan-2-yl]methanamine;molecular hydrogen
CID 142806903
2-[(sulfamoylamino)methyl]oxolane
CID 68548773
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
1,3-bis(oxolan-2-ylmethyl)thiourea
CID 19653607

Frequently Asked Questions

What is the IUPAC name of 2-[(sulfinatoamino)methyl]oxolane?
The IUPAC name of 2-[(sulfinatoamino)methyl]oxolane (CID 23465505) is 2-[(sulfinatoamino)methyl]oxolane.
What is the SMILES notation for 2-[(sulfinatoamino)methyl]oxolane?
The canonical SMILES for 2-[(sulfinatoamino)methyl]oxolane is O=S([O-])NCC1CCCO1.
What is the InChIKey of 2-[(sulfinatoamino)methyl]oxolane?
The InChIKey is SWHJBNWJNGSGJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO3S/c7-10(8)6-4-5-2-1-3-9-5/h5-6H,1-4H2,(H,7,8)/p-1.
What are the key properties of 2-[(sulfinatoamino)methyl]oxolane?
2-[(sulfinatoamino)methyl]oxolane has a molecular weight of 164.21 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(sulfinatoamino)methyl]oxolane is sourced from PubChem (CID 23465505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).