N-[2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide

C15H24N2O7S — CID 139341925

IUPACN-[2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C(OCCN)OC(CO)C(O)C2O)cc1
InChIInChI=1S/C15H24N2O7S/c1-9-2-4-10(5-3-9)25(21,22)17-12-14(20)13(19)11(8-18)24-15(12)23-7-6-16/h2-5,11-15,17-20H,6-8,16H2,1H3
InChIKeyLZCKKIQYKSTVIC-UHFFFAOYSA-N
MW376.43 g/mol
LogP-1.94
Rot. Bonds7

About N-[2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide

N-[2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide (PubChem CID 139341925) has the molecular formula C15H24N2O7S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide
PubChem CID139341925
Molecular FormulaC15H24N2O7S
Molecular Weight376.43 g/mol
Exact Mass376.13
IUPAC NameN-[2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C(OCCN)OC(CO)C(O)C2O)cc1
InChIInChI=1S/C15H24N2O7S/c1-9-2-4-10(5-3-9)25(21,22)17-12-14(20)13(19)11(8-18)24-15(12)23-7-6-16/h2-5,11-15,17-20H,6-8,16H2,1H3
InChIKeyLZCKKIQYKSTVIC-UHFFFAOYSA-N
XLogP-1.94
TPSA151.34 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 5-1.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2S,3S,4R,5S,6R)-2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 68989394
4-methyl-N'-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzenesulfonohydrazide
CID 102459448
1-(4-methylphenyl)sulfonyl-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea
CID 164517432
(2S,3R,4S,5R,6R)-2-(2-aminoethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 69399577
(2R,5S)-2-(2-aminoethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70977781
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfonyloxane-3,4,5-triol
CID 131866199
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-methylphenyl)sulfonylhydrazinyl]oxan-3-yl]acetamide
CID 25053010
N-[(2R,3R,4R,5S,6R)-2-(5-aminopentoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 101053297
N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methylphenyl)sulfonylsulfanyloxan-3-yl]acetamide
CID 101454043
[(2S,3S,4S,5S,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] 4-methylbenzenesulfonate
CID 171122723
N-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide
CID 118054664
N-[(2S,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methylphenoxy)oxan-3-yl]acetamide
CID 124762777

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide (CID 139341925) is N-[2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2C(OCCN)OC(CO)C(O)C2O)cc1.
What is the InChIKey of N-[2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide?
The InChIKey is LZCKKIQYKSTVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O7S/c1-9-2-4-10(5-3-9)25(21,22)17-12-14(20)13(19)11(8-18)24-15(12)23-7-6-16/h2-5,11-15,17-20H,6-8,16H2,1H3.
What are the key properties of N-[2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide?
N-[2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide has a molecular weight of 376.43 g/mol, XLogP of -1.94, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 139341925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).