2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide

C12H25NO4S — CID 75485175

IUPAC2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide
SMILESCC(C)COCCCNS(=O)(=O)C1CCOC1C
InChIInChI=1S/C12H25NO4S/c1-10(2)9-16-7-4-6-13-18(14,15)12-5-8-17-11(12)3/h10-13H,4-9H2,1-3H3
InChIKeyDYURFCYSUNPBKM-UHFFFAOYSA-N
MW279.40 g/mol
LogP1.15
Rot. Bonds8

About 2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide

2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide (PubChem CID 75485175) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide
PubChem CID75485175
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide
SMILESCC(C)COCCCNS(=O)(=O)C1CCOC1C
InChIInChI=1S/C12H25NO4S/c1-10(2)9-16-7-4-6-13-18(14,15)12-5-8-17-11(12)3/h10-13H,4-9H2,1-3H3
InChIKeyDYURFCYSUNPBKM-UHFFFAOYSA-N
XLogP1.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide?
The IUPAC name of 2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide (CID 75485175) is 2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide?
The canonical SMILES for 2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide is CC(C)COCCCNS(=O)(=O)C1CCOC1C.
What is the InChIKey of 2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide?
The InChIKey is DYURFCYSUNPBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-10(2)9-16-7-4-6-13-18(14,15)12-5-8-17-11(12)3/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide?
2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide has a molecular weight of 279.40 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methylpropoxy)propyl]oxolane-3-sulfonamide is sourced from PubChem (CID 75485175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).