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

C14H20N4O2S2 — CID 71861545

IUPACN-methyl-1-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]methanesulfonamide
SMILESCNS(=O)(=O)Cc1cccc(CNc2nc(C(C)C)ns2)c1
InChIInChI=1S/C14H20N4O2S2/c1-10(2)13-17-14(21-18-13)16-8-11-5-4-6-12(7-11)9-22(19,20)15-3/h4-7,10,15H,8-9H2,1-3H3,(H,16,17,18)
InChIKeyPXSJPEWGBQKAMJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.32
Rot. Bonds7

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

N-methyl-1-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]methanesulfonamide (PubChem CID 71861545) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-methyl-1-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-1-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]methanesulfonamide
PubChem CID71861545
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC NameN-methyl-1-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]methanesulfonamide
SMILESCNS(=O)(=O)Cc1cccc(CNc2nc(C(C)C)ns2)c1
InChIInChI=1S/C14H20N4O2S2/c1-10(2)13-17-14(21-18-13)16-8-11-5-4-6-12(7-11)9-22(19,20)15-3/h4-7,10,15H,8-9H2,1-3H3,(H,16,17,18)
InChIKeyPXSJPEWGBQKAMJ-UHFFFAOYSA-N
XLogP2.32
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-1-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]methanesulfonamide (CID 71861545) is N-methyl-1-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-1-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-1-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]methanesulfonamide is CNS(=O)(=O)Cc1cccc(CNc2nc(C(C)C)ns2)c1.
What is the InChIKey of N-methyl-1-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]methanesulfonamide?
The InChIKey is PXSJPEWGBQKAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-10(2)13-17-14(21-18-13)16-8-11-5-4-6-12(7-11)9-22(19,20)15-3/h4-7,10,15H,8-9H2,1-3H3,(H,16,17,18).
What are the key properties of N-methyl-1-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]methanesulfonamide?
N-methyl-1-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]methanesulfonamide has a molecular weight of 340.47 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 71861545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).