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

C12H17N3O3S2 — CID 106378210

IUPAC4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)NCc2ncc(C)o2)c1
InChIInChI=1S/C12H17N3O3S2/c1-3-13-6-10-4-12(19-8-10)20(16,17)15-7-11-14-5-9(2)18-11/h4-5,8,13,15H,3,6-7H2,1-2H3
InChIKeyKJLZNSYUUVHGRW-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.63
Rot. Bonds7

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

4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106378210) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID106378210
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)NCc2ncc(C)o2)c1
InChIInChI=1S/C12H17N3O3S2/c1-3-13-6-10-4-12(19-8-10)20(16,17)15-7-11-14-5-9(2)18-11/h4-5,8,13,15H,3,6-7H2,1-2H3
InChIKeyKJLZNSYUUVHGRW-UHFFFAOYSA-N
XLogP1.63
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378096
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106378311
4-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106069682
4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074851
N-(2-ethoxy-2-methylpropyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106086773
4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106378084
4-(ethylaminomethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106095026
4-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016288
4-methyl-5-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378080
2-bromo-5-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106377889
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 110660417
4-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378242

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide (CID 106378210) is 4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide is CCNCc1csc(S(=O)(=O)NCc2ncc(C)o2)c1.
What is the InChIKey of 4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is KJLZNSYUUVHGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c1-3-13-6-10-4-12(19-8-10)20(16,17)15-7-11-14-5-9(2)18-11/h4-5,8,13,15H,3,6-7H2,1-2H3.
What are the key properties of 4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide?
4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 315.42 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106378210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).