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

C10H13N3O3S2 — CID 106378096

IUPAC4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc(CN)cs2)o1
InChIInChI=1S/C10H13N3O3S2/c1-7-4-12-9(16-7)5-13-18(14,15)10-2-8(3-11)6-17-10/h2,4,6,13H,3,5,11H2,1H3
InChIKeyJGGZFFLMSYZATJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.98
Rot. Bonds5

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

4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106378096) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID106378096
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc(CN)cs2)o1
InChIInChI=1S/C10H13N3O3S2/c1-7-4-12-9(16-7)5-13-18(14,15)10-2-8(3-11)6-17-10/h2,4,6,13H,3,5,11H2,1H3
InChIKeyJGGZFFLMSYZATJ-UHFFFAOYSA-N
XLogP0.98
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378210
4-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378242
4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 106062675
4-(aminomethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 107886913
4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378080
4-(aminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106423719
5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 106376706
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 110660417
5-(aminomethyl)-1-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrole-3-sulfonamide
CID 106378199
3-(aminomethyl)-4-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106378093
4-hydrazinyl-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106373377
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-4-sulfonamide
CID 114180923

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide (CID 106378096) is 4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide is Cc1cnc(CNS(=O)(=O)c2cc(CN)cs2)o1.
What is the InChIKey of 4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is JGGZFFLMSYZATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-7-4-12-9(16-7)5-13-18(14,15)10-2-8(3-11)6-17-10/h2,4,6,13H,3,5,11H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide?
4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 287.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106378096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).