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

C12H17N3O3S2 — CID 106378238

IUPAC2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C12H17N3O3S2/c1-7-6-19-10(4-13)12(7)20(16,17)14-5-11-15-8(2)9(3)18-11/h6,14H,4-5,13H2,1-3H3
InChIKeyJRCDVGGWSBGAIB-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.60
Rot. Bonds5

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

2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylthiophene-3-sulfonamide (PubChem CID 106378238) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylthiophene-3-sulfonamide
PubChem CID106378238
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylthiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C12H17N3O3S2/c1-7-6-19-10(4-13)12(7)20(16,17)14-5-11-15-8(2)9(3)18-11/h6,14H,4-5,13H2,1-3H3
InChIKeyJRCDVGGWSBGAIB-UHFFFAOYSA-N
XLogP1.60
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378242
2-(aminomethyl)-4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106410691
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47359122
2-(aminomethyl)-N-benzyl-4-methylthiophene-3-sulfonamide
CID 102752086
5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106378250
2-(aminomethyl)-N-(5-methoxypentyl)-4-methylthiophene-3-sulfonamide
CID 106092711
2-(aminomethyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106088307
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 106373822
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106369295
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 86825312
2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide
CID 102751985
4-methyl-2-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102752695

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylthiophene-3-sulfonamide (CID 106378238) is 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylthiophene-3-sulfonamide is Cc1csc(CN)c1S(=O)(=O)NCc1nc(C)c(C)o1.
What is the InChIKey of 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylthiophene-3-sulfonamide?
The InChIKey is JRCDVGGWSBGAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-7-6-19-10(4-13)12(7)20(16,17)14-5-11-15-8(2)9(3)18-11/h6,14H,4-5,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylthiophene-3-sulfonamide?
2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylthiophene-3-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106378238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).