N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide

C13H21NO5S2 — CID 91773132

IUPACN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCCO)c(C)s1
InChIInChI=1S/C13H21NO5S2/c1-9-7-13(10(2)20-9)21(16,17)14-11-3-5-18-8-12(11)19-6-4-15/h7,11-12,14-15H,3-6,8H2,1-2H3/t11-,12-/m1/s1
InChIKeyWPGVZYXTSLKGHI-VXGBXAGGSA-N
MW335.45 g/mol
LogP0.81
Rot. Bonds6

About N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide

N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 91773132) has the molecular formula C13H21NO5S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide
PubChem CID91773132
Molecular FormulaC13H21NO5S2
Molecular Weight335.45 g/mol
Exact Mass335.09
IUPAC NameN-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCCO)c(C)s1
InChIInChI=1S/C13H21NO5S2/c1-9-7-13(10(2)20-9)21(16,17)14-11-3-5-18-8-12(11)19-6-4-15/h7,11-12,14-15H,3-6,8H2,1-2H3/t11-,12-/m1/s1
InChIKeyWPGVZYXTSLKGHI-VXGBXAGGSA-N
XLogP0.81
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R,4S)-3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]oxan-4-yl]oxyacetic acid
CID 91790961
2-chloro-4-fluoro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-5-methylbenzenesulfonamide
CID 91774576
3-chloro-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2-methylbenzenesulfonamide
CID 91773298
N-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide
CID 94415069
2-[(3S,4R)-4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]oxan-3-yl]oxyacetic acid
CID 91788215
2-cyano-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]benzenesulfonamide
CID 91779438
4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide
CID 91772259
5-methyl-4-(oxolan-3-ylsulfamoyl)thiophene-2-carboxylic acid
CID 80716792
2-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4-methylbenzenesulfonamide
CID 91772450
N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 106298861
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide
CID 91783033
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide
CID 91760856

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide (CID 91773132) is N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2OCCO)c(C)s1.
What is the InChIKey of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is WPGVZYXTSLKGHI-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21NO5S2/c1-9-7-13(10(2)20-9)21(16,17)14-11-3-5-18-8-12(11)19-6-4-15/h7,11-12,14-15H,3-6,8H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide?
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 335.45 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 91773132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).