4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide

C12H17N3O3S2 — CID 106378080

IUPAC4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NCc2ncc(C)o2)cc1C
InChIInChI=1S/C12H17N3O3S2/c1-8-4-12(19-10(8)6-13-3)20(16,17)15-7-11-14-5-9(2)18-11/h4-5,13,15H,6-7H2,1-3H3
InChIKeyPMTPWDQLTPBGKP-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.55
Rot. Bonds6

About 4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide

4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106378080) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID106378080
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NCc2ncc(C)o2)cc1C
InChIInChI=1S/C12H17N3O3S2/c1-8-4-12(19-10(8)6-13-3)20(16,17)15-7-11-14-5-9(2)18-11/h4-5,13,15H,6-7H2,1-3H3
InChIKeyPMTPWDQLTPBGKP-UHFFFAOYSA-N
XLogP1.55
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-5-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106410852
5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 106376706
2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106377889
4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378096
4-methyl-5-(methylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106411268
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 110660417
4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378210
4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106378168
4-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369102
2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660446
4-methyl-5-(methylaminomethyl)-N-(3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 114141439
4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106373377

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide (CID 106378080) is 4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide is CNCc1sc(S(=O)(=O)NCc2ncc(C)o2)cc1C.
What is the InChIKey of 4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is PMTPWDQLTPBGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-8-4-12(19-10(8)6-13-3)20(16,17)15-7-11-14-5-9(2)18-11/h4-5,13,15H,6-7H2,1-3H3.
What are the key properties of 4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide?
4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106378080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).