1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide

C9H16N2O4S — CID 103850553

IUPAC1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCC1(O)CCOC1
InChIInChI=1S/C9H16N2O4S/c1-2-8(5-10)16(13,14)11-6-9(12)3-4-15-7-9/h8,11-12H,2-4,6-7H2,1H3
InChIKeyFMINKAASTGIXBM-UHFFFAOYSA-N
MW248.30 g/mol
LogP-0.64
Rot. Bonds5

About 1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide

1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide (PubChem CID 103850553) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide
PubChem CID103850553
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCC1(O)CCOC1
InChIInChI=1S/C9H16N2O4S/c1-2-8(5-10)16(13,14)11-6-9(12)3-4-15-7-9/h8,11-12H,2-4,6-7H2,1H3
InChIKeyFMINKAASTGIXBM-UHFFFAOYSA-N
XLogP-0.64
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide
CID 107271483
methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100069
N-[(3-hydroxyoxolan-3-yl)methyl]morpholine-4-sulfonamide
CID 103848126
N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848060
N-[(3-hydroxyoxolan-3-yl)methyl]oxane-4-sulfonamide
CID 103848200
3-[(2-methoxyethylsulfamoylamino)methyl]oxolan-3-ol
CID 106102940
N-[(3-hydroxyoxolan-3-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 103848147
2-[(3-hydroxyoxolan-3-yl)methylamino]-N,N-dimethylpropanamide
CID 106100495
6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 103848198
2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848108
methyl 4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]butanoate
CID 103848177
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848090

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide (CID 103850553) is 1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NCC1(O)CCOC1.
What is the InChIKey of 1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide?
The InChIKey is FMINKAASTGIXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-2-8(5-10)16(13,14)11-6-9(12)3-4-15-7-9/h8,11-12H,2-4,6-7H2,1H3.
What are the key properties of 1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide?
1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide has a molecular weight of 248.30 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 103850553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).