N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C13H19N3O4S — CID 51710552

IUPACN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@H](c1ccco1)N(C)C
InChIInChI=1S/C13H19N3O4S/c1-9-13(10(2)20-15-9)21(17,18)14-8-11(16(3)4)12-6-5-7-19-12/h5-7,11,14H,8H2,1-4H3/t11-/m1/s1
InChIKeyKEIPTYANUJHHDI-LLVKDONJSA-N
MW313.38 g/mol
LogP1.47
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 51710552) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID51710552
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@H](c1ccco1)N(C)C
InChIInChI=1S/C13H19N3O4S/c1-9-13(10(2)20-15-9)21(17,18)14-8-11(16(3)4)12-6-5-7-19-12/h5-7,11,14H,8H2,1-4H3/t11-/m1/s1
InChIKeyKEIPTYANUJHHDI-LLVKDONJSA-N
XLogP1.47
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
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N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
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N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzenesulfonamide
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N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
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N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-fluoro-4-methylbenzenesulfonamide
CID 51943762
3-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzene-1,3-disulfonamide
CID 55511765
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-nitrobenzenesulfonamide
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N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzenesulfonamide;formic acid
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N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 95982538
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110295756
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-sulfonamide
CID 47149015
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 51710552) is N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC[C@H](c1ccco1)N(C)C.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is KEIPTYANUJHHDI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-9-13(10(2)20-15-9)21(17,18)14-8-11(16(3)4)12-6-5-7-19-12/h5-7,11,14H,8H2,1-4H3/t11-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 51710552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).