N-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide

C7H15NO4S — CID 136535164

IUPACN-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide
SMILESCC(CO)N(C)S(=O)(=O)C1COC1
InChIInChI=1S/C7H15NO4S/c1-6(3-9)8(2)13(10,11)7-4-12-5-7/h6-7,9H,3-5H2,1-2H3
InChIKeyBNQUZEAVFOZTLG-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.97
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide

N-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide (PubChem CID 136535164) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide
PubChem CID136535164
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide
SMILESCC(CO)N(C)S(=O)(=O)C1COC1
InChIInChI=1S/C7H15NO4S/c1-6(3-9)8(2)13(10,11)7-4-12-5-7/h6-7,9H,3-5H2,1-2H3
InChIKeyBNQUZEAVFOZTLG-UHFFFAOYSA-N
XLogP-0.97
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide (CID 136535164) is N-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide is CC(CO)N(C)S(=O)(=O)C1COC1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide?
The InChIKey is BNQUZEAVFOZTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-6(3-9)8(2)13(10,11)7-4-12-5-7/h6-7,9H,3-5H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide?
N-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide has a molecular weight of 209.27 g/mol, XLogP of -0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide is sourced from PubChem (CID 136535164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).