N-(2-methylpropoxy)-1-(3-propan-2-yloxetan-3-yl)methanesulfonamide

C11H23NO4S — CID 167077309

IUPACN-(2-methylpropoxy)-1-(3-propan-2-yloxetan-3-yl)methanesulfonamide
SMILESCC(C)CONS(=O)(=O)CC1(C(C)C)COC1
InChIInChI=1S/C11H23NO4S/c1-9(2)5-16-12-17(13,14)8-11(10(3)4)6-15-7-11/h9-10,12H,5-8H2,1-4H3
InChIKeyQKWFTKYLEPPNFO-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.17
Rot. Bonds7

About N-(2-methylpropoxy)-1-(3-propan-2-yloxetan-3-yl)methanesulfonamide

N-(2-methylpropoxy)-1-(3-propan-2-yloxetan-3-yl)methanesulfonamide (PubChem CID 167077309) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1-(3-propan-2-yloxetan-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1-(3-propan-2-yloxetan-3-yl)methanesulfonamide
PubChem CID167077309
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC NameN-(2-methylpropoxy)-1-(3-propan-2-yloxetan-3-yl)methanesulfonamide
SMILESCC(C)CONS(=O)(=O)CC1(C(C)C)COC1
InChIInChI=1S/C11H23NO4S/c1-9(2)5-16-12-17(13,14)8-11(10(3)4)6-15-7-11/h9-10,12H,5-8H2,1-4H3
InChIKeyQKWFTKYLEPPNFO-UHFFFAOYSA-N
XLogP1.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1-(3-propan-2-yloxetan-3-yl)methanesulfonamide?
The IUPAC name of N-(2-methylpropoxy)-1-(3-propan-2-yloxetan-3-yl)methanesulfonamide (CID 167077309) is N-(2-methylpropoxy)-1-(3-propan-2-yloxetan-3-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methylpropoxy)-1-(3-propan-2-yloxetan-3-yl)methanesulfonamide?
The canonical SMILES for N-(2-methylpropoxy)-1-(3-propan-2-yloxetan-3-yl)methanesulfonamide is CC(C)CONS(=O)(=O)CC1(C(C)C)COC1.
What is the InChIKey of N-(2-methylpropoxy)-1-(3-propan-2-yloxetan-3-yl)methanesulfonamide?
The InChIKey is QKWFTKYLEPPNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-9(2)5-16-12-17(13,14)8-11(10(3)4)6-15-7-11/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N-(2-methylpropoxy)-1-(3-propan-2-yloxetan-3-yl)methanesulfonamide?
N-(2-methylpropoxy)-1-(3-propan-2-yloxetan-3-yl)methanesulfonamide has a molecular weight of 265.37 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1-(3-propan-2-yloxetan-3-yl)methanesulfonamide is sourced from PubChem (CID 167077309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).