1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide

C10H18N2O4S — CID 107271483

IUPAC1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCC1(O)CCOC1C
InChIInChI=1S/C10H18N2O4S/c1-3-9(6-11)17(14,15)12-7-10(13)4-5-16-8(10)2/h8-9,12-13H,3-5,7H2,1-2H3
InChIKeyRJVWJYZFYRXGQA-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.25
Rot. Bonds5

About 1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide

1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide (PubChem CID 107271483) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide
PubChem CID107271483
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)NCC1(O)CCOC1C
InChIInChI=1S/C10H18N2O4S/c1-3-9(6-11)17(14,15)12-7-10(13)4-5-16-8(10)2/h8-9,12-13H,3-5,7H2,1-2H3
InChIKeyRJVWJYZFYRXGQA-UHFFFAOYSA-N
XLogP-0.25
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]propane-1-sulfonamide
CID 103850553
3-hydroxy-2-methyl-3-[(sulfamoylamino)methyl]oxolane
CID 107268641
1-cyano-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propane-1-sulfonamide
CID 115360444
3-[(dimethylsulfamoylamino)methyl]-3-hydroxy-2-methyloxolane
CID 107271476
3-[(2-ethylsulfonylethylamino)methyl]-2-methyloxolan-3-ol
CID 106101245
2-cyano-3-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271547
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-4-sulfonamide
CID 107271464
2-methyl-3-[(1-methylsulfonylpropan-2-ylamino)methyl]oxolan-3-ol
CID 107270852
2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 106101609
2-chloro-5-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271407
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzenesulfonamide
CID 107271459
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylsulfonylpropanamide
CID 107302161

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide (CID 107271483) is 1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide is CCC(C#N)S(=O)(=O)NCC1(O)CCOC1C.
What is the InChIKey of 1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide?
The InChIKey is RJVWJYZFYRXGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-3-9(6-11)17(14,15)12-7-10(13)4-5-16-8(10)2/h8-9,12-13H,3-5,7H2,1-2H3.
What are the key properties of 1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide?
1-cyano-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide has a molecular weight of 262.33 g/mol, XLogP of -0.25, 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-hydroxy-2-methyloxolan-3-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 107271483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).