3-(dimethylamino)-4-methyl-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide

C13H18N4O3S — CID 97252121

IUPAC3-(dimethylamino)-4-methyl-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)c2ncon2)cc1N(C)C
InChIInChI=1S/C13H18N4O3S/c1-9-5-6-11(7-12(9)17(3)4)21(18,19)16-10(2)13-14-8-20-15-13/h5-8,10,16H,1-4H3/t10-/m0/s1
InChIKeyQRIOVXJOJTXDTN-JTQLQIEISA-N
MW310.38 g/mol
LogP1.48
Rot. Bonds5

About 3-(dimethylamino)-4-methyl-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide

3-(dimethylamino)-4-methyl-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 97252121) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-(dimethylamino)-4-methyl-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(dimethylamino)-4-methyl-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
PubChem CID97252121
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name3-(dimethylamino)-4-methyl-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)c2ncon2)cc1N(C)C
InChIInChI=1S/C13H18N4O3S/c1-9-5-6-11(7-12(9)17(3)4)21(18,19)16-10(2)13-14-8-20-15-13/h5-8,10,16H,1-4H3/t10-/m0/s1
InChIKeyQRIOVXJOJTXDTN-JTQLQIEISA-N
XLogP1.48
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(dimethylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 71911224
ethyl 3-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-2-hydroxybutanoate
CID 139017531
3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide
CID 71911398
(2R)-4-amino-2-[[3-(dimethylamino)-4-methylphenyl]sulfonylamino]-4-oxobutanoic acid
CID 167896354
3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46452389
3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106390169
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 8817485
N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 26943769
N-[3-(dimethylamino)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169371894
3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide
CID 67008794
3-(dimethylamino)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 136534603

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-methyl-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-(dimethylamino)-4-methyl-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (CID 97252121) is 3-(dimethylamino)-4-methyl-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-(dimethylamino)-4-methyl-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-(dimethylamino)-4-methyl-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](C)c2ncon2)cc1N(C)C.
What is the InChIKey of 3-(dimethylamino)-4-methyl-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is QRIOVXJOJTXDTN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-9-5-6-11(7-12(9)17(3)4)21(18,19)16-10(2)13-14-8-20-15-13/h5-8,10,16H,1-4H3/t10-/m0/s1.
What are the key properties of 3-(dimethylamino)-4-methyl-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
3-(dimethylamino)-4-methyl-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-methyl-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 97252121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).