2-methyl-N-(oxan-3-yl)propane-2-sulfonamide

C9H19NO3S — CID 134166276

IUPAC2-methyl-N-(oxan-3-yl)propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCCOC1
InChIInChI=1S/C9H19NO3S/c1-9(2,3)14(11,12)10-8-5-4-6-13-7-8/h8,10H,4-7H2,1-3H3
InChIKeyTTXNKNUPRYZSIT-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.88
Rot. Bonds2

About 2-methyl-N-(oxan-3-yl)propane-2-sulfonamide

2-methyl-N-(oxan-3-yl)propane-2-sulfonamide (PubChem CID 134166276) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-methyl-N-(oxan-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(oxan-3-yl)propane-2-sulfonamide
PubChem CID134166276
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-methyl-N-(oxan-3-yl)propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCCOC1
InChIInChI=1S/C9H19NO3S/c1-9(2,3)14(11,12)10-8-5-4-6-13-7-8/h8,10H,4-7H2,1-3H3
InChIKeyTTXNKNUPRYZSIT-UHFFFAOYSA-N
XLogP0.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-3-yl)propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-(oxan-3-yl)propane-2-sulfonamide (CID 134166276) is 2-methyl-N-(oxan-3-yl)propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-(oxan-3-yl)propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-(oxan-3-yl)propane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCCOC1.
What is the InChIKey of 2-methyl-N-(oxan-3-yl)propane-2-sulfonamide?
The InChIKey is TTXNKNUPRYZSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2,3)14(11,12)10-8-5-4-6-13-7-8/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-(oxan-3-yl)propane-2-sulfonamide?
2-methyl-N-(oxan-3-yl)propane-2-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxan-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 134166276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).