2-(3-azidopropylsulfinylmethyl)oxolane

C8H15N3O2S — CID 106495363

IUPAC2-(3-azidopropylsulfinylmethyl)oxolane
SMILES[N-]=[N+]=NCCCS(=O)CC1CCCO1
InChIInChI=1S/C8H15N3O2S/c9-11-10-4-2-6-14(12)7-8-3-1-5-13-8/h8H,1-7H2
InChIKeyRBEGDBHCAMWQFC-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.61
Rot. Bonds6

About 2-(3-azidopropylsulfinylmethyl)oxolane

2-(3-azidopropylsulfinylmethyl)oxolane (PubChem CID 106495363) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-(3-azidopropylsulfinylmethyl)oxolane.

Molecular Properties

Compound Name2-(3-azidopropylsulfinylmethyl)oxolane
PubChem CID106495363
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-(3-azidopropylsulfinylmethyl)oxolane
SMILES[N-]=[N+]=NCCCS(=O)CC1CCCO1
InChIInChI=1S/C8H15N3O2S/c9-11-10-4-2-6-14(12)7-8-3-1-5-13-8/h8H,1-7H2
InChIKeyRBEGDBHCAMWQFC-UHFFFAOYSA-N
XLogP1.61
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(oxolan-2-ylmethylsulfinyl)pentanenitrile
CID 103579656
6-(oxolan-2-ylmethylsulfinyl)-N-propylhexan-3-amine
CID 106808096
N-(4-azidobutyl)-3-(oxolan-2-yl)propanamide
CID 106386302
N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247487
N-(4-azidobutyl)-2-(oxan-2-yl)acetamide
CID 106386601
1-azido-3-propylsulfinylpropane
CID 61396915
2-azido-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 98128026
3-[3-(oxolan-2-ylmethylsulfinyl)propoxy]aniline
CID 106495251
1-(oxolan-2-ylmethylsulfinyl)butan-2-one
CID 106497232
[3-[3-(oxolan-2-ylmethylsulfinyl)propoxy]phenyl]methanamine
CID 106497510
3-azidopropane-1-sulfinate
CID 152765724
1-(oxolan-2-ylmethylsulfinyl)pentan-2-one
CID 106497160

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylsulfinylmethyl)oxolane?
The IUPAC name of 2-(3-azidopropylsulfinylmethyl)oxolane (CID 106495363) is 2-(3-azidopropylsulfinylmethyl)oxolane.
What is the SMILES notation for 2-(3-azidopropylsulfinylmethyl)oxolane?
The canonical SMILES for 2-(3-azidopropylsulfinylmethyl)oxolane is [N-]=[N+]=NCCCS(=O)CC1CCCO1.
What is the InChIKey of 2-(3-azidopropylsulfinylmethyl)oxolane?
The InChIKey is RBEGDBHCAMWQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c9-11-10-4-2-6-14(12)7-8-3-1-5-13-8/h8H,1-7H2.
What are the key properties of 2-(3-azidopropylsulfinylmethyl)oxolane?
2-(3-azidopropylsulfinylmethyl)oxolane has a molecular weight of 217.29 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylsulfinylmethyl)oxolane is sourced from PubChem (CID 106495363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).