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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120896778
5-ethyl-N-[[(3S)-3-methoxythiolan-3-yl]methyl]thiophene-2-sulfonamide
CID 97414702
4-tert-butyl-N-[(3-methoxythiolan-3-yl)methyl]benzenesulfonamide
CID 90584402
methyl 4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]benzoate
CID 97414750
N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 126850365
methyl N-[4-[(3-methoxythiolan-3-yl)methylsulfamoyl]phenyl]carbamate
CID 72717990
3-chloro-4-methoxy-N-[[(3S)-3-methoxythiolan-3-yl]methyl]benzenesulfonamide
CID 97414736
5-fluoro-2-methoxy-N-[(3-methoxythiolan-3-yl)methyl]benzenesulfonamide
CID 90584395
N-[(4-hydroxy-1,3-dihydroisothiochromen-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 163351620
N-(2-amino-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119988108
N-[4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]-3-methylphenyl]propanamide
CID 97414748
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057

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).