4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C13H19N3O3S2 — CID 102754459

IUPAC4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCc1csc(CNC(C)C)c1S(=O)(=O)NCc1ccon1
InChIInChI=1S/C13H19N3O3S2/c1-9(2)14-7-12-13(10(3)8-20-12)21(17,18)15-6-11-4-5-19-16-11/h4-5,8-9,14-15H,6-7H2,1-3H3
InChIKeyHMASBFVDFATJPB-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.02
Rot. Bonds7

About 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 102754459) has the molecular formula C13H19N3O3S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID102754459
Molecular FormulaC13H19N3O3S2
Molecular Weight329.45 g/mol
Exact Mass329.09
IUPAC Name4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCc1csc(CNC(C)C)c1S(=O)(=O)NCc1ccon1
InChIInChI=1S/C13H19N3O3S2/c1-9(2)14-7-12-13(10(3)8-20-12)21(17,18)15-6-11-4-5-19-16-11/h4-5,8-9,14-15H,6-7H2,1-3H3
InChIKeyHMASBFVDFATJPB-UHFFFAOYSA-N
XLogP2.02
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,2-oxazol-3-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 81178108
N-(2-methoxypropyl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102755152
2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 107329060
N-(3,3-dimethylbutan-2-yl)-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106079151
N-cyclohexyl-4-methyl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751897
2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477364
4-methyl-2-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102752695
5-(hydroxymethyl)-4-methyl-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81173589
N-ethyl-4-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 102751342
2-amino-4,5-dimethyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81169956
N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094597
5-bromo-2-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 79477683

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 102754459) is 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is Cc1csc(CNC(C)C)c1S(=O)(=O)NCc1ccon1.
What is the InChIKey of 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is HMASBFVDFATJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S2/c1-9(2)14-7-12-13(10(3)8-20-12)21(17,18)15-6-11-4-5-19-16-11/h4-5,8-9,14-15H,6-7H2,1-3H3.
What are the key properties of 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 329.45 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 102754459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).