(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-sulfonamide

C10H16N2O4S — CID 164638988

IUPAC(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-sulfonamide
SMILESCc1cc(CN(C)S(=O)(=O)[C@H]2CCOC2)no1
InChIInChI=1S/C10H16N2O4S/c1-8-5-9(11-16-8)6-12(2)17(13,14)10-3-4-15-7-10/h5,10H,3-4,6-7H2,1-2H3/t10-/m0/s1
InChIKeyMAFWIKHVYFRXQA-JTQLQIEISA-N
MW260.31 g/mol
LogP0.53
Rot. Bonds4

About (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-sulfonamide

(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-sulfonamide (PubChem CID 164638988) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-sulfonamide.

Molecular Properties

Compound Name(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-sulfonamide
PubChem CID164638988
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-sulfonamide
SMILESCc1cc(CN(C)S(=O)(=O)[C@H]2CCOC2)no1
InChIInChI=1S/C10H16N2O4S/c1-8-5-9(11-16-8)6-12(2)17(13,14)10-3-4-15-7-10/h5,10H,3-4,6-7H2,1-2H3/t10-/m0/s1
InChIKeyMAFWIKHVYFRXQA-JTQLQIEISA-N
XLogP0.53
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-sulfonamide?
The IUPAC name of (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-sulfonamide (CID 164638988) is (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-sulfonamide.
What is the SMILES notation for (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-sulfonamide?
The canonical SMILES for (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-sulfonamide is Cc1cc(CN(C)S(=O)(=O)[C@H]2CCOC2)no1.
What is the InChIKey of (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-sulfonamide?
The InChIKey is MAFWIKHVYFRXQA-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-8-5-9(11-16-8)6-12(2)17(13,14)10-3-4-15-7-10/h5,10H,3-4,6-7H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-sulfonamide?
(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-sulfonamide has a molecular weight of 260.31 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]oxolane-3-sulfonamide is sourced from PubChem (CID 164638988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).