N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C11H18N2O4S2 — CID 97414697

IUPACN-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCO[C@@]1(CNS(=O)(=O)c2c(C)noc2C)CCSC1
InChIInChI=1S/C11H18N2O4S2/c1-8-10(9(2)17-13-8)19(14,15)12-6-11(16-3)4-5-18-7-11/h12H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyNLWJLQHHYODAII-LLVKDONJSA-N
MW306.41 g/mol
LogP1.09
Rot. Bonds5

About N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 97414697) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID97414697
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC NameN-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCO[C@@]1(CNS(=O)(=O)c2c(C)noc2C)CCSC1
InChIInChI=1S/C11H18N2O4S2/c1-8-10(9(2)17-13-8)19(14,15)12-6-11(16-3)4-5-18-7-11/h12H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyNLWJLQHHYODAII-LLVKDONJSA-N
XLogP1.09
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 97414697) is N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CO[C@@]1(CNS(=O)(=O)c2c(C)noc2C)CCSC1.
What is the InChIKey of N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is NLWJLQHHYODAII-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-8-10(9(2)17-13-8)19(14,15)12-6-11(16-3)4-5-18-7-11/h12H,4-7H2,1-3H3/t11-/m1/s1.
What are the key properties of N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 306.41 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-methoxythiolan-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 97414697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).