N-methyl-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide

C14H20N4O2S2 — CID 71996687

IUPACN-methyl-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCc1nsc(NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)n1
InChIInChI=1S/C14H20N4O2S2/c1-10(2)18(4)22(19,20)13-7-5-12(6-8-13)9-15-14-16-11(3)17-21-14/h5-8,10H,9H2,1-4H3,(H,15,16,17)
InChIKeyDAWZWVIYWBGUDN-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.49
Rot. Bonds6

About N-methyl-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide

N-methyl-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 71996687) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-methyl-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID71996687
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC NameN-methyl-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCc1nsc(NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)n1
InChIInChI=1S/C14H20N4O2S2/c1-10(2)18(4)22(19,20)13-7-5-12(6-8-13)9-15-14-16-11(3)17-21-14/h5-8,10H,9H2,1-4H3,(H,15,16,17)
InChIKeyDAWZWVIYWBGUDN-UHFFFAOYSA-N
XLogP2.49
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 71996691
4-[2-[[3-[(4-Fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide
CID 70978386
4-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzenesulfonamide
CID 107304669
N-[(4-methylsulfonylphenyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304885
2-Fluoro-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfamoyl]benzenecarbothioamide
CID 116389083
2-Fluoro-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfamoyl]benzenecarbothioamide
CID 116389085
N-[(3-fluorophenyl)methyl]-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzenesulfonamide
CID 133319627
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133484427
3-tert-butyl-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133508231
N-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide
CID 71852850
N-methyl-1-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]methanesulfonamide
CID 71861545
4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081349

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-methyl-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide (CID 71996687) is N-methyl-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide is Cc1nsc(NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)n1.
What is the InChIKey of N-methyl-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is DAWZWVIYWBGUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-10(2)18(4)22(19,20)13-7-5-12(6-8-13)9-15-14-16-11(3)17-21-14/h5-8,10H,9H2,1-4H3,(H,15,16,17).
What are the key properties of N-methyl-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide?
N-methyl-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 340.47 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 71996687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).