2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide

C9H19NO4S — CID 136540395

IUPAC2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide
SMILESCOC(C)CS(=O)(=O)NC1CCOC1C
InChIInChI=1S/C9H19NO4S/c1-7(13-3)6-15(11,12)10-9-4-5-14-8(9)2/h7-10H,4-6H2,1-3H3
InChIKeyPZKSPPGGYGVCLY-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.12
Rot. Bonds5

About 2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide

2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide (PubChem CID 136540395) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide
PubChem CID136540395
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide
SMILESCOC(C)CS(=O)(=O)NC1CCOC1C
InChIInChI=1S/C9H19NO4S/c1-7(13-3)6-15(11,12)10-9-4-5-14-8(9)2/h7-10H,4-6H2,1-3H3
InChIKeyPZKSPPGGYGVCLY-UHFFFAOYSA-N
XLogP0.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide?
The IUPAC name of 2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide (CID 136540395) is 2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide?
The canonical SMILES for 2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide is COC(C)CS(=O)(=O)NC1CCOC1C.
What is the InChIKey of 2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide?
The InChIKey is PZKSPPGGYGVCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-7(13-3)6-15(11,12)10-9-4-5-14-8(9)2/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide?
2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide has a molecular weight of 237.32 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methyloxolan-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 136540395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).